A. Frontera

发表

OPLS all‐atom force field for carbohydrates

William L. Jorgensen, Julian Tirado-Rives, Wolfgang Damm, 1997 .

MP2 Study of synergistic effects between X–H/π (X = C,N,O) and π–π interactions

Daniel Escudero, David Quiñonero, Antonio Frontera, 2008 .

Energetic vs synergetic stability: a theoretical study.

D. Quiñonero, J. Elguero, C. Estarellas, 2009, The journal of physical chemistry. A.

Synthesis and characterization of a manganese(III) schiff base complex and exploration of Br···Br interaction in the solid state structure of the complex

A. Frontera, S. Chatterjee, A. Franconetti, 2019, Journal of Coordination Chemistry.

Introducing Supramolecular Interactions into Robust Bis(tetrabromocatecholate) Chelated Manganese(III) Systems and Biomimetic Catalytic Activity

A. Frontera, N. Jana, A. Panja, 2017 .

NO3− anions can act as Lewis acid in the solid state

A. Frontera, A. Bauzá, T. J. Mooibroek, 2017, Nature Communications.

Anion–π interactions: must the aromatic ring be electron deficient?

D. Quiñonero, P. Ballester, A. Frontera, 2003 .

Cation-π vs anion-π interactions: a complete π-orbital analysis

D. Quiñonero, P. Ballester, A. Frontera, 2004 .

Experimental and theoretical study of thymine and cytosine derivatives: the crucial role of weak noncovalent interactions

E. Molins, A. Frontera, A. Bauzá, 2012 .

On the Role of Water as a Catalyst in Prebiotic Chemistry.

A. Frontera, J. M. Saa, 2020, Chemphyschem : a European journal of chemical physics and physical chemistry.

1,1,2,2-Tetracyanocyclopropane (TCCP) as supramolecular synthon.

A. Frontera, A. Bauzá, T. J. Mooibroek, 2016, Physical chemistry chemical physics : PCCP.

Supramolecular aggregation of lead(II) perchlorate and a thiosemicarbazide derivative linked by a myriad of non-covalent interactions

E. Zangrando, A. Frontera, M. G. Babashkina, 2022, Inorganica Chimica Acta.

Polymorphism in the 1/1 Pterostilbene/Picolinic Acid Cocrystal

A. Frontera, M. Font‐Bardia, Rafael Barbas, 2021, Crystal Growth & Design.

A comparative study of noncovalent interactions in various Ni-compounds containing nitrogen heteroaromatic ligands and pseudohalides: A combined experimental and theoretical studies

A. Saha, A. Frontera, N. Jana, 2021, Inorganica Chimica Acta.

Nucleophilic iodonium interactions (NIIs) in 2-coordinate iodine(I) and silver(I) complexes.

K. Rissanen, A. Frontera, J. Ward, 2021, Chemical communications.

Theoretical study of spodium bonding in the active site of three Zn-proteins and several model systems.

A. Frontera, A. Bauzá, R. Llull, 2021, Physical chemistry chemical physics : PCCP.

Supramolecular, spectroscopic and computational analysis of weak interactions in some thiosemicarbazones derived from 5-acetylbarbituric acid

A. Frontera, A. Castiñeiras, I. García-Santos, 2021 .

Insight into non-covalent interactions in two triamine-based mononuclear iron(iii) Schiff base complexes with special emphasis on the formation of Br⋯π halogen bonding

A. Frontera, S. Chattopadhyay, Tanmoy Basak, 2021 .

Solvothermal self assembly of three lanthanide(III)-succinates: Crystal structure, topological analysis and DFT calculations on water channel

A. Frontera, Manesh Kumar, H. N. Sheikh, 2021 .

A new coordination polymer constructed from Pb(NO3)2 and a benzylideneisonicotinohydrazide derivative: Coordination-induced generation of a π-hole towards a tetrel-bonding stabilized structure

E. Zangrando, J. White, A. Frontera, 2021, Journal of Molecular Structure.

An insight into the supramolecular interactions in two linear polyvanadates

A. Frontera, S. Chattopadhyay, Snehasish Thakur, 2021 .

Synthesis and crystal structure of the simultaneous binding of Ni(ii) cation and chloride by the protonated 2,4,6 tris-(2-pyridyl)-1,3,5 triazine ligand: theoretical investigations of anion⋯π, π⋯π and hydrogen bonding interactions

A. Frontera, R. Gomila, Pampi Pal, 2021 .

An insight to the spin density distribution and non-covalent interactions in a carboxylate bridged class-I mixed valence cobalt(II),cobalt(III) complex of quadruplet nature

Abhisek Banerjee, A. Frontera, S. Chattopadhyay, 2021 .

Oxalato bridged coordination polymer of manganese(iii) involving unconventional O⋯π-hole(nitrile) and antiparallel nitrile⋯nitrile contacts: antiproliferative evaluation and theoretical studies

D. Dutta, A. Frontera, A. Verma, 2020 .

Asymmetric [N-I-N]+ halonium complexes.

K. Rissanen, A. Frontera, J. Ward, 2020, Chemical communications.

Two copper (II) complexes derived from anthranilic acid and 4-iodo-anthranilic acid Schiff bases: Structural elucidation, halogen bonding interactions and catalytic study using 3,5-DTBC

A. Frontera, C. Rizzoli, Chirantan Roy Choudhury, 2020 .

Existence of stronger C H···π(chelate ring) interaction compared to C H···π(arene) interactions in the supramolecular assembly of dinuclear iron(III) Schiff base complexes: A theoretical insight

A. Frontera, S. Chattopadhyay, Tanmoy Basak, 2020 .

On the importance of π-hole spodium bonding in tricoordinated HgII complexes.

E. Zangrando, J. White, A. Frontera, 2020, Dalton transactions.

Unconventional formation of a 1D-chain of H-bonded water molecules in bipyridine-based supramolecular hexameric hosts of isostructural coordination compounds of Co(II) and Zn(II): Antiproliferative evaluation and theoretical studies

A. Frontera, A. Verma, Pranay Sharma, 2020 .

Metal–organic architectures driven by a multifunctional 6-aminouracil spacer: structures, noncovalent interactions, and conductivity

S. Mondal, A. Kirillov, Rakesh Ganguly, 2020 .

Supramolecular and theoretical perspectives of 2,2′:6′,2′′-terpyridine based Ni(ii) and Cu(ii) complexes: on the importance of C–H⋯Cl and π⋯π interactions

A. Frontera, Pampi Pal, K. Das, 2020 .

Halogen interactions in dinuclear copper(II) 2,4-dibromophenoxyacetate – crystal structure and quantum chemical calculations

A. Frontera, A. Franconetti, W. Ferenc, 2020 .

A theoretical insight into non-covalent supramolecular interactions in the solid state structures of two octahedral iron(iii) complexes

A. Frontera, S. Chattopadhyay, Tanmoy Basak, 2020 .

A combined experimental and theoretical study on an ionic cobalt(III/II) complex with a Schiff base ligand

M. Drew, A. Frontera, Kousik Ghosh, 2020 .

Regium-π Bonds Are Involved in Protein-Gold Binding.

M. N. Piña, A. Frontera, A. Bauzá, 2020, The journal of physical chemistry letters.

A combined experimental and computational study of a supramolecular assembly based on cationic zinc(II)-ethanesulfonate

A. Frontera, G. Kociok‐Köhn, Rohit Singh, 2020, Journal of Molecular Structure.

Surface Modification of Pseudoboehmite-Coated Aluminum Plates with Squaramic Acid Amphiphiles

A. Frontera, C. López, Carmen Rotger, 2019, ACS omega.

H-Bonded anion-anion complexes in fentanyl citrate polymorphs and solvates.

A. Frontera, A. Franconetti, A. Bauzá, 2019, Chemical communications.

"Like-like" tetrel bonding interactions between Sn centres: a combined ab initio and CSD study.

A. Frontera, A. Franconetti, 2019, Dalton transactions.

Methylene spacer regulated variation in molecular and crystalline architectures of cobalt(iii) complexes with reduced Schiff base ligands: a combined experimental and theoretical study.

Abhisek Banerjee, A. Frontera, S. Chattopadhyay, 2019, Dalton transactions.

2,5-Furandicarboxylic acid as a linker for lanthanide coordination polymers: the role of heteroaromatic π–π stacking and hydrogen bonding

Jan K. Zaręba, A. Frontera, Manesh Kumar, 2019, New Journal of Chemistry.

Two Geometrical Isomers of a 1D Coordination Polymer: Rationalization by Theoretical Calculations and Variation of Electrical Properties with the Change in Binding Mode of Dicarboxylate Linker

M. Drew, A. Frontera, Ashutosh Ghosh, 2019, Crystal Growth & Design.

Effects of N-oxidation on the molecular and crystal structures and properties of isocinchomeronic acid, its metal complexes and their supramolecular architectures: experimental, CSD survey, solution and theoretical approaches

M. Shamsipur, M. Mirzaei, M. Yousefi, 2019, RSC advances.

A triple alkoxo bridged dinuclear cobalt(III) complex mimicking phosphatase and showing ability to degrade organic dye contaminants by photocatalysis

A. Frontera, A. Franconetti, Kousik Ghosh, 2019, Journal of Organometallic Chemistry.

Energetically favorable anti-electrostatic hydrogen bonded cationic clusters in Ni(II) 3,5-dimethylpyrazole complexes: Anticancer evaluation and theoretical studies

A. Guha, A. Frontera, A. Verma, 2019, Polyhedron.

Hydrogen bonding versus π-interactions: their key competition in sildenafil solvates

A. Frontera, A. Bauzá, M. Font‐Bardia, 2018 .

A series of 3D lanthanide coordination polymers decorated with a rigid 3,5-pyridinedicarboxylic acid linker: syntheses, structural diversity, DFT study, Hirshfeld surface analysis, luminescence and magnetic properties.

A. K. Jassal, A. Frontera, Manesh Kumar, 2018, Dalton transactions.

Tetranuclear MnII /ZnII and Novel Azido-Bridged Chair-Shaped Heptanuclear CdII Compounds: The Effect of Metal Ion and Coordination Mode of the Azide Group on the Structure of the Products

E. Zangrando, A. Frontera, A. Gurbanov, 2018, European Journal of Inorganic Chemistry.

The Mouse in a Trap: Observation of a C(sp3)–F···F–C(sp3) Interaction in a Discrete CFC Pair by the Crystal Sponge Method

A. Frontera, Eduardo C. Escudero‐Adán, Carmen Rotger, 2017 .

A methodological analysis for the assessment of non-covalent π interactions

D. Quiñonero, C. Estarellas, A. Frontera, 2011 .

Substituent effects in halogen bonding complexes between aromatic donors and acceptors: a comprehensive ab initio study.

D. Quiñonero, A. Frontera, P. M. Deyà, 2011, Physical chemistry chemical physics : PCCP.

Very long-range effects: cooperativity between anion-pi and hydrogen-bonding interactions.

D. Quiñonero, C. Estarellas, A. Frontera, 2009, Chemphyschem : a European journal of chemical physics and physical chemistry.

Theoretical and crystallographic study of edge-to-face aromatic interactions between pyridine moieties and benzene

D. Quiñonero, C. Estarellas, A. Frontera, 2009 .

A topological analysis of the electron density in anion-pi interactions.

D. Quiñonero, P. Ballester, A. Frontera, 2003, Chemphyschem : a European journal of chemical physics and physical chemistry.

Simultaneous Interaction of Tetrafluoroethene with Anions and Hydrogen-Bond Donors: A Cooperativity Study.

D. Quiñonero, J. Elguero, C. Estarellas, 2009, Journal of chemical theory and computation.

Synthesis, Characterization, DFT Study, Catechol Oxidase and Phenoxazinone Synthase Like Activities of Two New Manganese(IV) Schiff Base Complexes

A. Frontera, S. Chattopadhyay, A. Bauzá, 2017 .

Structural diversity and non-covalent interactions in Cd(II) and Zn(II) complexes derived from 3,5-dinitrobenzoic acid and pyridine: Experimental and theoretical aspects

M. Drew, Subhadip Roy, B. Sridhar, 2016 .

Exploration of CH⋯π interactions involving the π-system of pseudohalide coligands in metal complexes of a Schiff-base ligand

C. Massera, D. Das, A. Frontera, 2015 .

A theoretical study of aromaticity in squaramide complexes with anions

D. Quiñonero, A. Frontera, Antoni Costa, 2002 .

Asymmetric Hydrogenation of Seven-Membered C=N-containing Heterocycles and Rationalization of the Enantioselectivity.

A. Frontera, A. Bauzá, A. Vidal‐Ferran, 2016, Chemistry.

Quantification of aromaticity in oxocarbons: the problem of the fictitious "nonaromatic" reference system.

D. Quiñonero, P. Ballester, A. Frontera, 2002, Chemistry.

On the Importance of Pnictogen and Chalcogen Bonding Interactions in Supramolecular Catalysis

A. Frontera, A. Bauzá, Antonio Bauzá, 2021, International journal of molecular sciences.

On the Importance of σ–Hole Interactions in Crystal Structures

A. Frontera, A. Bauzá, Antonio Bauzá, 2021, Crystals.

Noble Gas Bonding Interactions Involving Xenon Oxides and Fluorides

A. Frontera, 2020, Molecules.

Not Only Hydrogen Bonds: Other Noncovalent Interactions

J. Elguero, A. Frontera, I. Alkorta, 2020, Crystals.

Tetrel bonding interactions at work: Impact on tin and lead coordination compounds

A. Frontera, A. Bauzá, S. Seth, 2019, Coordination Chemistry Reviews.

Aerogen Bonding Interaction: A New Supramolecular Force?

A. Frontera, A. Bauzá, 2015, Angewandte Chemie.

Tetrel Bonding Interactions Involving Carbon at Work: Recent Advances in Crystal Engineering and Catalysis

A. Frontera, 2020, C—Journal of Carbon Research.

Unravelling the electronic nature of C-FO-C non-covalent interaction in proteins and small molecules in the solid state.

Himansu S. Biswal, A. Frontera, D. Chopra, 2020, Physical chemistry chemical physics : PCCP.

Anion–π, Lone-Pair–π, π–π and Hydrogen-Bonding Interactions in a CuII Complex of 2-Picolinate and Protonated 4,4′-Bipyridine: Crystal Structure and Theoretical Studies

M. Drew, A. Frontera, D. Escudero, 2009 .

Synchronized On/Off Switching of Four Binding Sites for Water in a Molecular Solomon Link.

A. Frontera, Fabien B. L. Cougnon, A. Bauzá, 2019, Angewandte Chemie.

Synchronized On/Off Switching of Four Binding Sites for Water in a Molecular Solomon Link

A. Frontera, Fabien B. L. Cougnon, A. Bauzá, 2019, Angewandte Chemie.

Diastereoselective Amplification of a Mechanically Chiral [2]Catenane

A. Frontera, C. Besnard, Fabien B. L. Cougnon, 2021, Journal of the American Chemical Society.

Self-assembly hexanuclear metallacontainer hosting halogenated guest species and sustaining structure of 3D coordination framework.

D. Quiñonero, R. Staudt, H. Krautscheid, 2011, Chemical communications.

Predicting experimental complexation-induced changes in NMR chemical shift for complexes between metalloporphyrins and ligands using the Ab initio/GIAO-HF methodology

D. Quiñonero, A. Frontera, Antoni Costa, 2002 .

Predicting experimental complexation-induced changes in (1)H NMR chemical shift for complexes between zinc-porphyrins and amines using the ab initio/GIAO-HF methodology.

D. Quiñonero, P. Ballester, A. Frontera, 2002, Organic letters.

Application of a novel 2D cadmium(II)-MOF in the formation of a photo-switch with a substantial on-off ratio.

Subhasish Subhasish, P. Ray, A. Dey, 2015, Chemical communications.

Rational design, synthesis, and application of a new receptor for the molecular recognition of tricarboxylate salts in aqueous media.

D. Quiñonero, P. Ballester, J. Morey, 2006, The Journal of organic chemistry.

Thermodynamic characterization of halide-π interactions in solution using "two-wall" aryl extended calix[4]pyrroles as model system.

D. Quiñonero, P. Ballester, A. Frontera, 2014, Journal of the American Chemical Society.

Different nature of the interactions between anions and HAT(CN)6: from reversible anion-π complexes to irreversible electron-transfer processes (HAT(CN)6 = 1,4,5,8,9,12-hexaazatriphenylene).

J. Vidal-Gancedo, P. Ballester, A. Frontera, 2013, Journal of the American Chemical Society.

Cation-π versus anion-π interactions: Energetic, charge transfer, and aromatic aspects

D. Quiñonero, P. Ballester, A. Frontera, 2004 .

Approximate Additivity of Anion−π Interactions: An Ab Initio Study on Anion−π, Anion−π2 and Anion−π3 Complexes

D. Quiñonero, P. Ballester, A. Frontera, 2005 .

A Theoretical ab initio Study of the Capacity of Several Binding Units for the Molecular Recognition of Anions

D. Quiñonero, P. Ballester, A. Frontera, 2005 .

A new benzimidazolium incorporated chemodosimeter affording dual chromogenic and fluorescence switch-on signaling for the selective targeting of cyanide

A. Frontera, S. Mashraqui, Rupesh Betkar, 2013, Journal of Inclusion Phenomena and Macrocyclic Chemistry.

Utility of Three-Coordinate Silver Complexes Toward the Formation of Iodonium Ions

K. Rissanen, A. Frontera, J. Ward, 2021, Inorganic Chemistry.

Exploration of Br⋯O halogen bonding interactions in dinuclear vanadium(V) complexes with Schiff base ligands

A. Frontera, S. Chattopadhyay, Diego M. Gil, 2020, Polyhedron.

Relevant π-hole tetrel bonding interactions in ethyl 2-triazolyl-2-oxoacetate derivatives: Hirshfeld surface analysis and DFT calculations

A. Frontera, M. Tahir, Saba Khan, 2020, CrystEngComm.

Phosphatase Mimicking Activity of Two Zinc(II) Schiff Base Complexes with Zn2O2 Cores: NBO Analysis and MEP Calculation to Estimate Non‐Covalent Interactions

M. Das, A. Frontera, S. Chattopadhyay, 2017 .

Towards design strategies for anion–π interactions in crystal engineering

A. Frontera, A. Bauzá, T. J. Mooibroek, 2016 .

Construction of Supramolecular Assemblies Based on Anion–π Interactions

A. Frontera, A. Bauzá, Antonio Bauzá, 2016 .

Small cycloalkane (CN)2C-C(CN)2 structures are highly directional non-covalent carbon-bond donors.

A. Frontera, A. Bauzá, T. J. Mooibroek, 2014, Chemistry.

Revision of the Crystal Structure of the Orthorhombic Polymorph of Oxyma: On the Importance of π–Hole Interactions and Their Interplay with H–Bonds

A. Frontera, M. Font‐Bardia, Rafael Barbas, 2022, Crystals.

Anion⋅⋅⋅Anion Coinage Bonds: The Case of Tetrachloridoaurate

G. Resnati, G. Terraneo, A. Frontera, 2021, Angewandte Chemie.

Anion⋅⋅⋅Anion Interactions Involving σ‐Holes of Perrhenate, Pertechnetate and Permanganate Anions

G. Resnati, G. Terraneo, A. Frontera, 2021, Chemphyschem : a European journal of chemical physics and physical chemistry.

Anion⋅⋅⋅Anion Coinage Bonds: The Case of Tetrachloridoaurate

G. Resnati, G. Terraneo, A. Frontera, 2021, Angewandte Chemie.

Coordination polymers of manganese(II), cobalt(II), nickel(II) and cadmium(II) decorated with rigid pyrazine-2,3-dicarboxylic acid linker: Synthesis, structural diversity, DFT study and magneto-luminescence properties

A. Frontera, Manesh Kumar, Zaib ul Nisa, 2020 .

Catecholase-Like Activity and Theoretical Study in Solid State of a New Ru(III)-Schiff Base Complex.

E. Zangrando, A. Frontera, Chirantan Roy Choudhury, 2021, Acta chimica Slovenica.

Insight into charge transportation in cadmium based semiconducting organic-inorganic hybrid materials and their application in the fabrication of photosensitive Schottky devices.

P. Ray, A. Dey, A. Frontera, 2022, Dalton transactions.

Ab initio investigations of lithium diffusion in single-walled carbon nanotubes

D. Quiñonero, P. Ballester, A. Frontera, 2004 .

A Ni-based MOF for selective detection and removal of Hg2+ in aqueous medium: a facile strategy.

P. Roy, J. Mondal, A. Frontera, 2017, Dalton transactions.

Heteronuclear cobalt(iii)/sodium complexes with salen type compartmental Schiff base ligands: methylene spacer regulated variation in nuclearity.

A. Frontera, Kousik Ghosh, S. Chattopadhyay, 2018, Dalton transactions.

A versatile chemosensor for the detection of Al3+ and picric acid (PA) in aqueous solution.

A. Frontera, Sanchita Goswami, C. Das Mukhopadhyay, 2018, Dalton transactions.

Bifunctional Fluorophosphonium Triflates as Intramolecular Frustrated Lewis Pairs: Reversible CO2 Sequestration and Binding of Carbonyls, Nitriles and Acetylenes

K. Schwedtmann, J. Weigand, A. Frontera, 2021, Chemistry.

A Cd(ii)-based MOF as a photosensitive Schottky diode: experimental and theoretical studies.

P. Roy, P. Ray, A. Dey, 2017, Dalton transactions.

Importance of π-Interactions Involving Chelate Rings in Addition to the Tetrel Bonds in Crystal Engineering: A Combined Experimental and Theoretical Study on a Series of Hemi- and Holodirected Nickel(II)/Lead(II) Complexes

A. Frontera, S. Chatterjee, S. Chattopadhyay, 2019, Crystal Growth & Design.

Formation of a tetranuclear supramolecule via non-covalent Pb⋯Cl tetrel bonding interaction in a hemidirected lead(ii) complex with a nickel(ii) containing metaloligand

A. Frontera, S. Chattopadhyay, Saikat Mirdya, 2019, CrystEngComm.

Synthesis, structures, and investigation of noncovalent interactions of 1,3-dimethyl-5-(4ʹ/3ʹ-pyridylazo)-6-aminouracil and their Ni(II) complexes

Rakesh Ganguly, A. Frontera, T. Misra, 2018, Journal of Molecular Structure.

Carboxylate Coordination Assisted Aggregation for Quasi‐Tetrahedral and Partial‐Dicubane [Cu4] Coordination Clusters

A. Frontera, A. Bauzá, Sabyashachi Mishra, 2016 .

A Combined Experimental and Theoretical Study of Anion-π Interactions in N6- and N9-Decyladenine Salts

D. Quiñonero, E. Molins, C. Estarellas, 2010 .

Experimental and theoretical study of uracil derivatives: the crucial role of weak fluorine–fluorine noncovalent interactions

D. Quiñonero, E. Molins, C. Estarellas, 2010 .

Intramolecular noncovalent force in cyclic amidines: nonbonded interaction between carbon atoms and heteroatoms

A. Frontera, X. Qian, Xiaoyong Xu, 2003 .

Valence‐Tautomerism‐Driven Aromatic Nucleophilic Substitution in Cobalt‐Bound Tetrabromocatecholate Ligands – Influence of Positive Charge at the Ligand Backbone on Phenoxazinone Synthase Activity

A. Frontera, A. Panja, 2018 .

Anion-π interactions in light-induced reactions. Their role in the amidation of (hetero)aromatic systems with activated N-aryloxyamides.

A. Frontera, M. A. Pericàs, M. M. Mastandrea, 2019, Chemistry.

Enhanced Photosensitive Schottky Diode Behavior of Pyrazine over 2-Aminopyrimidine Ligand in Copper(II)-Phthalate MOFs: Experimental and Theoretical Rationalization

P. Ballester, P. Ray, A. Dey, 2018, ACS omega.

Synthetic Modulation of a Chemosensor Affords Target Metal Ion Switch from Zn2+ to Al3+

K. Chaudhuri, A. Frontera, Sanchita Goswami, 2017 .

Remote Control of Anion–π Catalysis on Fullerene‐Centered Catalytic Triads

S. Matile, N. Sakai, A. Frontera, 2018, Angewandte Chemie.

Anion-π Catalysis on Fullerenes.

S. Matile, A. Frontera, J. López-Andarias, 2017, Journal of the American Chemical Society.

Lithium diffusion in single-walled carbon nanotubes: a theoretical study

D. Quiñonero, A. Frontera, Antoni Costa, 2003 .

Periodate anions as a halogen bond donor: formation of anion⋯anion dimers and other adducts.

G. Resnati, A. Frontera, A. Pizzi, 2022, Chemical communications.

Magnetic, luminescence, topological and theoretical studies of structurally diverse supramolecular lanthanide coordination polymers with flexible glutaric acid as a linker

A. K. Jassal, Jan K. Zaręba, Sui‐Jun Liu, 2019, New Journal of Chemistry.

Dangling and Hydrolyzed Ligand Arms in [Mn3] and [Mn6] Coordination Assemblies: Synthesis, Characterization, and Functional Activity.

A. Frontera, M. Murrie, A. Kundu, 2017, Inorganic chemistry.

Crystallographic and Theoretical Study of Osme Bonds in Nitrido-Osmium(VI) Complexes

A. Frontera, R. Gomila, 2022, Inorganics.

Supramolecular Assembly of Metal Complexes by (Aryl)I⋯dz2[PtII] Halogen Bond.

O. Levin, M. Haukka, A. Frontera, 2020, Chemistry.

A Combined Experimental and Theoretical Study on the Formation of a Cyclic Tetrameric Water Cluster and a Similar Type of Cyclic Cluster in Copper(II) Schiff Base Complexes

M. Drew, A. Frontera, S. Chattopadhyay, 2017 .

Energetically significant nitrile⋯nitrile and unconventional C–H⋯π(nitrile) interactions in pyridine based Ni(II) and Zn(II) coordination compounds: Antiproliferative evaluation and theoretical studies

A. Frontera, A. Verma, Sahid Hussain, 2021, Journal of Molecular Structure.

Supramolecular assembly of a 2D coordination polymer bearing pyridine-N-oxide-2,5-dicarboxylic acid and copper ion: X-ray crystallography and DFT calculations

M. Mirzaei, A. Frontera, M. Bazargan, 2020 .

A Series of Lanthanide-Based Metal-Organic Frameworks Derived from Furan-2,5-dicarboxylate and Glutarate: Structure-Corroborated Density Functional Theory Study, Magnetocaloric Effect, Slow Relaxation of Magnetization, and Luminescent Properties.

Sui‐Jun Liu, A. Frontera, Manesh Kumar, 2019, Inorganic chemistry.

Supramolecular coordination polymers of La(III), Ce(III), Sm(III), Gd(III) and Eu(III) decorated with rigid 5-hydroxy-1,3-benzenedicarboxylate and flexible hexane-1,6-dicarboxylate linkers: Syntheses, structures, DFT study, luminescence and magnetic properties

P. Sood, A. Frontera, J. Ortega-Castro, 2017 .

Host-guest supramolecular interactions in the coordination compounds of 4,4'-azobis(pyridine) with MnX2 (X = NCS–, NCNCN–, and PF6(–)): structural analyses and theoretical study.

M. Drew, A. Frontera, Ashutosh Ghosh, 2012, Inorganic chemistry.

Valence tautomerism induced nucleophilic ipso substitution in a coordinated tetrabromocatecholate ligand and diverse catalytic activity mimicking the function of phenoxazinone synthase

P. Brandão, A. Frontera, N. Jana, 2016 .

Hydrogen- and halogen-bond cooperativity in determining the crystal packing of dihalogen charge-transfer adducts : a study case from heterocyclic pentatomic chalcogenone donors

R. Montis, A. Frontera, V. Lippolis, 2017 .

Synthesis and Crystal Structures of μ-Oxido- and μ-Hydroxido-Bridged Dinuclear Iron(III) Complexes with an N2O Donor Ligand – A Theoretical Study on the Influence of Weak Forces on the Fe–O–Fe Bridging Angle

M. Drew, C. Estarellas, A. Frontera, 2011 .

Semiconducting properties of pyridyl appended linear dicarboxylate based coordination polymers: theoretical prediction via DFT study.

Mohammad Hedayetullah Mir, A. Frontera, J. Ortega-Castro, 2020, Dalton transactions.

Experimental and computational investigations of the photosensitive Schottky barrier diode property of an azobenzene based small organic molecule

Saikat Banerjee, P. Ray, P. Brandão, 2018 .

Investigation of Solid State Architectures in Tetrazolyl Tryptophol stabilized by crucial Aromatic Interactions and Hydrogen Bonding: Experimental and Theoretical Analysis

C. J. McAdam, T. Hökelek, M. Ibrahim, 2022, Journal of Molecular Structure.

Can lone pair-π and cation-π interactions coexist? A theoretical study

D. Quiñonero, C. Estarellas, A. Frontera, 2010 .

A Combined Experimental and Theoretical Study of Anion–π Interactions in Bis(pyrimidine) Salts

D. Quiñonero, E. Molins, A. Frontera, 2007 .

Benzene, an Unexpected Binding Unit in Anion–π Recognition: The Critical Role of CH/π Interactions

D. Quiñonero, A. Frontera, 2022, Sci.

Relevant anion-π interactions in biological systems: the case of urate oxidase.

D. Quiñonero, C. Estarellas, A. Frontera, 2011, Angewandte Chemie.

Anion-pi interactions in four-membered rings.

D. Quiñonero, C. Estarellas, A. Frontera, 2009, Organic letters.

Interplay between edge-to-face aromatic and hydrogen-bonding interactions.

D. Quiñonero, A. Frontera, D. Escudero, 2008, The journal of physical chemistry. A.

Coordination complexes exhibiting anion...pi interactions: synthesis, structure, and theoretical studies.

D. Quiñonero, S. Teat, A. Frontera, 2008, Inorganic chemistry.

MP2 study of the dual sigma/pi-anion-binding affinity of fluorinated phthallic acid anhydrides.

D. Quiñonero, P. Ballester, J. Morey, 2008, The journal of physical chemistry. A.

Anion−π Interactions in Bisadenine Derivatives: A Combined Crystallographic and Theoretical Study

E. Molins, A. Frontera, D. Escudero, 2007 .

A “nucleophilic” iodine in a halogen-bonded iodonium complex manifests an unprecedented I+···Ag+ interaction

K. Rissanen, A. Frontera, J. Ward, 2021, Chem.

Synthesis and fluorescence of N-squaraine dianions derived from electron-deficient primary anilines

A. Frontera, Carmen Rotger, R. Gomila, 2022, Dyes and Pigments.

Selective Metal-Ligand Bond-Breaking Driven by Weak Intermolecular Interactions: From Metamagnetic Mn(III)-Monomer to Hexacyanoferrate(II)-Bridged Metamagnetic Mn2Fe Trimer.

A. Frontera, Somen Goswami, S. Dey, 2020, Inorganic chemistry.

A Strategy to Synthesize Molecular Knots and Links Using the Hydrophobic Effect.

A. Frontera, Fabien B. L. Cougnon, A. Bauzá, 2018, Journal of the American Chemical Society.

Metal removal from the secondary building unit of bio-MOF-1 by adenine N6-alkylation while retaining the overall 3D porous topology

G. Beobide, A. Frontera, Eduardo C. Escudero‐Adán, 2020 .

Iodonium complexes of the tertiary amines quinuclidine and 1-ethylpiperidine.

K. Rissanen, A. Frontera, J. Ward, 2021, Dalton transactions.

Halogen···Halogen and π–Hole Interactions in Supramolecular Aggregates and Electrical Conductivity Properties of Cu(II)-Based 1D Coordination Polymers

P. Ray, Basudeb Dutta, Mohammad Hedayetullah Mir, 2022, Crystal Growth & Design.

Antiparallel π∙∙∙π and C−H∙∙∙H−C Contacts in a Novel Zn(II) Coordination Solid involving π-hole Tetrel Bonding Interactions: A Combined Experimental and Theoretical Study, Hirshfeld Surface Analysis, Molecular Docking and Potential Drug Property.

A. Frontera, M. Raza, Diego M. Gil, 2022, Journal of Molecular Structure.

Unexpected Binding Affinity of [ 2 . 2 ] Paracyclophane to Cations

D. Quiñonero, P. Ballester, A. Frontera, 2004 .

The resonance model in amides: a combined crystallographic and ab initio investigation

D. Quiñonero, A. Frontera, P. M. Deyà, 2001 .

Erroneous behaviour of the widely used MP2(full)/aug-cc-pVXZ (X = D,T) level of theory for evaluating the BSSE in ion-π complexes

D. Quiñonero, C. Estarellas, A. Frontera, 2010 .

Complexes of BiCl3 with hydrazone derived ligands: a Möbius-like discrete metal chelate versus a salt-like porous polymeric structure

E. Zangrando, A. Frontera, F. Zubkov, 2020 .

Benzyl Dihydrazone versus Thiosemicarbazone Schiff Base: Effects on the Supramolecular Arrangement of Cobalt Thiocyanate Complexes and the Generation of CoN6 and CoN4S2 Coordination Spheres

Jan K. Zaręba, A. Frontera, F. Zubkov, 2017 .

The first X-ray structure of a silver–nucleotide complex: interaction of ion Ag(I) with cytidine-5′-monophosphate

E. Molins, A. Frontera, A. Bauzá, 2017 .

Anion···Anion [AuI4]−···[AuI2]− Complex Trapped in the Solid State by Tetramethylammonium Cations

A. Frontera, E. Priola, G. Mahmoudi, 2022, Crystal growth & design.

Isocyanide and Cyanide Entities Form Isostructural Halogen Bond-Based Supramolecular Networks Featuring Five-Center Tetrafurcated Halogen···C/N Bonding

A. A. Eliseeva, A. Frontera, V. Boyarskiy, 2022, Crystal Growth & Design.

The N-atom in [N(PR3)2]+ cations (R = Ph, Me) can act as electron donor for (pseudo) anti-electrostatic interactions

A. Frontera, J. Reedijk, A. Bauzá, 2015 .

Supramolecular Assemblies involving Unconventional Non-Covalent contacts in Pyrazole-Based Coordination Compounds of Co(II) and Cu(II) Pyridinedicarboxylates: Antiproliferative Evaluation and Theoretical Studies

A. Frontera, A. Verma, Debasish Dutta, 2022, Polyhedron.

A survey of the different roles of polyoxometalates in their interaction with amino acids, peptides and proteins.

M. Mirzaei, A. Frontera, H. Eshtiagh-hosseini, 2017, Dalton transactions.

Photosensitive Schottky barrier diode behavior of a semiconducting Co(iii)–Na complex with a compartmental Schiff base ligand

P. Ray, A. Frontera, J. Ortega-Castro, 2019, RSC advances.

DABCO-Induced self-assembly of a trisporphyrin double-decker cage: thermodynamic characterization and guest recognition.

A. I. Oliva, C. Hunter, P. Ballester, 2006, Journal of the American Chemical Society.

Unravelling the Synthetic Mimic, Spectroscopic Insights, and Supramolecular Crystal Engineering of an Innovative Heteronuclear Pb(II)-Salen Cocrystal: An Integrated DFT, QTAIM/NCI Plot, NLO, Molecular Docking/PLIP, and Antibacterial Appraisal

A. Frontera, B. Tüzün, R. Gomila, 2022, Journal of Inorganic and Organometallic Polymers and Materials.

A novel fluoride selective optical chemosensor based on internal charge transfer signaling

D. Quiñonero, A. Frontera, S. Mashraqui, 2010 .

Ni-Catalysed Intramolecular [4+4]-cycloadditions of bis-dienes towards eight-membered fused bicyclic systems: a combined experimental and computational study

A. Frontera, A. Bauzá, A. Vidal‐Ferran, 2018 .

Exploration of noncovalent interactions in the solid state structures of carboxylate bridged trinuclear mixed valence cobalt complexes using computational tools based on the topological analysis of the electron density

A. Frontera, S. Chattopadhyay, R. Gomila, 2022, Polyhedron.

Exploring dithiolate-amine binary ligand systems for the supramolecular assemblies of Ni(II) coordination compounds: Crystal structures, theoretical studies, cytotoxicity studies, and molecular docking studies

S. Adhikari, A. Frontera, A. Banerjee, 2022, Inorganica Chimica Acta.

Dual-Ligand Strategy Employing Rigid 2,5-Thiophenedicarboxylate and 1,10-Phenanthroline as Coligands for Solvothermal Synthesis of Eight Lanthanide(III) Coordination Polymers: Structural Diversity, DFT Study, and Exploration of the Luminescent Tb(III) Coordination Polymer as an Efficient Chemical Se

A. Frontera, H. N. Sheikh, Musheer Ahmad, 2022, ACS omega.

Towards Anion Recognition and Precipitation with Water-Soluble 1,2,4-Selenodiazolium Salts: Combined Structural and Theoretical Study

A. Frontera, V. Khrustalev, A. Kirichuk, 2022, International journal of molecular sciences.

Supramolecular Aggregation of Lead(Ii) Perchlorate and a Thiosemicarbazide Derivative Linked by a Myriad of Non-Covalent Interactions

E. Zangrando, A. Frontera, M. G. Babashkina, 2022, SSRN Electronic Journal.

Expanding the toolbox of coinage bond: Adducts involving new gold(III) derivatives and bioactive molecules

G. Resnati, A. Frontera, A. Pizzi, 2022, CrystEngComm.

Supramolecular Assemblies involving Energetically Significant Unconventional π(CN)-π and Anion-π(nitrile) Contacts in Zn(II) Coordination Compounds: Antiproliferative Evaluation and Theoretical Studies

A. Frontera, A. Verma, Debasish Dutta, 2022, Journal of Molecular Structure.

Recurrent motifs in pharmaceutical cocrystals involving glycolic acid: X-ray characterization, Hirshfeld surface analysis and DFT calculations

C. Alvarez‐Lorenzo, Jan K. Zaręba, A. Frontera, 2020 .

Raise the anchor! Synthesis, X-ray and NMR characterization of 1,3,5-triazinanes with an axial tert-butyl group.

V. P. Zaytsev, A. Frontera, F. Zubkov, 2020, Organic & biomolecular chemistry.

Halogen and Chalcogen Bond Energies Evaluated Using Electron Density Properties.

A. Frontera, A. Bauzá, 2019, Chemphyschem : a European journal of chemical physics and physical chemistry.

Cu(II)-Based Molecular Hexagons Forming Honeycomb-like Networks Exhibit High Electrical Conductivity.

P. Ray, Basudeb Dutta, Mohammad Hedayetullah Mir, 2022, Inorganic chemistry.

New complexes of indium(III) diaryldithiophosphates: structural characterization and insight into supramolecular interactions

A. Frontera, R. Gomila, Kamal, 2022, Polyhedron.

DFT study on CH⋯O, CH···SCN and S··· π interaction energies in three dinuclear mixed valence cobalt(III/II) complexes with secondary diamine ligands having inner N2O2 and outer O4 compartments

A. Frontera, S. Chattopadhyay, R. Gomila, 2022, Polyhedron.

Exploration of supramolecular and theoretical aspects of two new Cu(II) complexes: On the importance of lone pair•••π(chelate ring) and π•••π(chelate ring) interactions

A. Frontera, Sudipta Pathak, S. Mukhopadhyay, 2022, Journal of Molecular Structure.

Diminishing accessibility of electrophilic nickel(ii) centres due to incorporation of a methylene spacer in the pendant side arm of a series of heterotrinuclear nickel(ii)/sodium complexes: a DFT study using a homodesmotic equation

Abhisek Banerjee, A. Frontera, S. Chatterjee, 2020 .

Crystal structures of N6-modified-amino acid related nucleobase analogs (II): hybrid adenine-β-alanine and adenine-GABA molecules

J. Lorenzo, A. Frontera, E. Vázquez-López, 2019, New Journal of Chemistry.

Zinc(II) complexes with uncommon aminal and hemiaminal ether derivatives: synthesis, structure, phosphatase activity and theoretical rationalization of ligand and complex formation

D. Das, E. Zangrando, A. Frontera, 2018 .

Mixed-ligand complexes of zinc(II) with 1,1-dicyanoethylene-2,2-dithiolate and N-donor ligands: A combined experimental and theoretical study

Maneesh Kumar Singh, S. Adhikari, Subhadip Roy, 2018, Journal of Molecular Structure.

Polymorphism in hetero-metallic tri-nuclear CuII2CdII complexes of salicylaldimine ligand: Structural analysis and theoretical study

A. Frontera, Ashutosh Ghosh, Apurba Biswas, 2013 .

H-Bonded anion-anion complex trapped in a squaramido-based receptor.

A. Frontera, A. Bauzá, M. Font‐Bardia, 2018, Chemical communications.

Preparation, solid-state characterization, and computational study of a crown ether attached to a squaramide.

David Quiñonero, Antonio Frontera, Ignasi Mata, 2005, Organic letters.

Definition of the chalcogen bond (IUPAC Recommendations 2019)

G. Desiraju, F. Nicotra, K. Rissanen, 2019, Chemistry International.

RNAs' uracil quartet model with a non-essential metal ion.

C. Estarellas, A. Frontera, M. Barceló-Oliver, 2011, Chemical communications.

Metallomacrocycles as anion receptors: combining hydrogen bonding and ion pair based hosts formed from Ag(I) salts and flexible bis- and tris-pyrimidine ligands.

E. Molins, A. Frontera, A. Bauzá, 2013, Chemical communications.

Dual binding mode of s-triazine to anions and cations.

D. Quiñonero, P. Ballester, A. Frontera, 2003, Organic letters.

s-Tetrazine as a new binding unit in molecular recognition of anions

D. Quiñonero, A. Frontera, Antoni Costa, 2003 .

Squaramide as a binding unit in molecular recognition

D. Quiñonero, J. Morey, A. Frontera, 2000 .

Anion-π interactions in flavoproteins.

D. Quiñonero, C. Estarellas, A. Frontera, 2011, Chemistry, an Asian journal.

Supramolecular assembly of Mg(II) complexes directed by associative lone pair-pi/pi-pi/pi-anion-pi/pi-lone pair interactions.

C. Estarellas, A. Frontera, Biswajit Dey, 2010, The journal of physical chemistry. B.

A Ni(II) chetale of an unsymmetrical N2O3 donor ligand and its use as flexidentate metalloligand to synthesise heterometallic Ni(II)-Mn(II) complexes: recurrent CH···π and π-stacking motifs in the structures

A. Frontera, Ashutosh Ghosh, M. Font‐Bardia, 2022, Inorganica Chimica Acta.

Synthesis, characterization and self assembly of dinuclear zinc Schiff base complexes: A combined experimental and theoretical study

A. Frontera, S. Chattopadhyay, R. Gomila, 2022, Polyhedron.

Unprecedented [d9]Cu[d10]Au coinage bonding interactions in {Cu(NH3)4[Au(CN)2]}+[Au(CN)2]- salt.

A. Frontera, E. Priola, Jacopo Andreo, 2021, Chemical communications.

DFT Analysis of Uncommon π···H-Bond Array Interaction in a New Pterostilbene/Theophylline Cocrystal

A. Frontera, Rafael Barbas, Rafel Prohens, 2020 .

A crystalline sponge based on dispersive forces suitable for X-ray structure determination of included molecular guests

P. Ballester, A. Frontera, Eduardo C. Escudero‐Adán, 2015, Chemical science.

Formation of an imidazoliumyl-substituted [(LC)4P4]4+ tetracation and transition metal mediated fragmentation and insertion reaction (LC = NHC)

K. Schwedtmann, J. Weigand, A. Frontera, 2019, Chemical science.

Synthesis, Structural Characterization, DNA Interaction, Dye Adsorption Properties and Theoretical Studies of Copper (II) Carboxylates

A. Frontera, A. Mandal, R. Gomila, 2022, Journal of Molecular Structure.

A trigonal prismatic anionic iron(III) complex of a radical o-iminobenzosemiquinonate derivative: structural and spectral analyses

S. Mitra, A. Frontera, E. Garribba, 2017 .

Selenoxides as Excellent Chalcogen Bond Donors: Effect of Metal Coordination

A. Frontera, A. Bauzá, R. Gomila, 2022, Molecules.

Robust Supramolecular Dimers Derived from Benzylic-Substituted 1,2,4-Selenodiazolium Salts Featuring Selenium⋯π Chalcogen Bonding

A. Frontera, V. Khrustalev, V. Nenajdenko, 2022, International journal of molecular sciences.

Matere Bonds vs. Multivalent Halogen and Chalcogen Bonds: Three Case Studies

A. Frontera, R. Gomila, 2022, Molecules.

Synthesis, structure and application of a simple cadmium(II)-terpyridine complex as sensor material for selective detection of pyrophosphate anion

K. Rissanen, A. Frontera, B. Ghosh, 2022, Journal of Molecular Structure.

The importance of tetrel bonding interactions with carbon in two arrestive iso-structural Cd(ii)–Salen coordination complexes: a comprehensive DFT overview in crystal engineering

A. Frontera, Sourav Roy, D. Majumdar, 2022, RSC advances.

Dicarboxylic Acid-Based Co-Crystals of Pyridine Derivatives Involving Structure Guiding Unconventional Synthons: Experimental and Theoretical Studies

A. Frontera, Pranay Sharma, M. Barceló-Oliver, 2022, Crystals.

Cationic 5-phosphonio-substituted N-heterocyclic carbenes.

K. Schwedtmann, J. Weigand, A. Frontera, 2016, Dalton transactions.

Understanding the planar conformations in diarylsubstituted heteroarenes: structural and theoretical insights

A. Frontera, S. Hameed, M. Naseer, 2021 .

Origin of the regioselective lithiation of 1,3-disubstituted heteroatom aromatics. MNDO evidence for bidentate complexation

A. Frontera, P. M. Deyà, J. M. Saa, 1992 .

A convenient access to fluorophosphonium triflate salts by electrophilic fluorination and anion exchange

K. Schwedtmann, J. Weigand, A. Frontera, 2021 .

Concurrent aerogen bonding and lone pair/anion-π interactions in the stability of organoxenon derivatives: a combined CSD and ab initio study.

A. Frontera, A. Bauzá, Antonio Bauzá, 2017, Physical chemistry chemical physics : PCCP.

Charge assisted chalcogen bonds: CSD and DFT analyses and biological implication in glucosidase inhibitors.

G. Resnati, A. Frontera, Bartomeu Galmés, 2020, Chemistry.

Covalent and Non-covalent Noble Gas Bonding Interactions in XeFn Derivatives (n = 2–6): A Combined Theoretical and ICSD Analysis

A. Frontera, R. Gomila, 2020, Frontiers in Chemistry.

π-Hole aerogen bonding interactions.

A. Frontera, A. Bauzá, Antonio Bauzá, 2015, Physical chemistry chemical physics : PCCP.

σ/π-Hole noble gas bonding interactions: Insights from theory and experiment

A. Frontera, A. Bauzá, Antonio Bauzá, 2020 .

Selective and Reversible Fluoride Complexation from Water by a Cyclic Tri(phosphonio)methanide Dication.

J. Weigand, A. Frontera, R. Fischer, 2017, Angewandte Chemie.

Hydrogen Bond versus Halogen Bond in HXOn (X = F, Cl, Br, and I) Complexes with Lewis Bases

D. Quiñonero, A. Frontera, 2019, Inorganics.

Synthesis, X-ray characterization and computational Studies of N -imidazolyl and N -pyrazolyl pyrimidine derivatives

E. Molins, C. Estarellas, A. Frontera, 2012 .

A versatile quinoxaline derivative serves as a colorimetric sensor for strongly acidic pH.

M. Drew, A. Frontera, Yeasin Sikdar, 2018, Dalton transactions.

From P‐Functional Thiazol‐2‐thione Derivatives to Phosphaalkenes

G. Schnakenburg, A. Frontera, R. Streubel, 2019, European Journal of Inorganic Chemistry.

Halogenhalogen interactions in decahalo-closo-carboranes: CSD analysis and theoretical study.

M. N. Piña, A. Frontera, A. Bauzá, 2020, Physical chemistry chemical physics : PCCP.

Isolation of Azadiphosphiridines and Diphosphenimines by Cycloaddition of Azides and a Cationic Diphosphene.

K. Schwedtmann, J. Weigand, A. Frontera, 2017, Angewandte Chemie.

The bright future of unconventional σ/π-hole interactions.

Antonio Bauzá, Antonio Frontera, A. Frontera, 2015, Chemphyschem : a European journal of chemical physics and physical chemistry.

Towards N,P-Doped π-Extended PAHs - A One-Pot Synthesis to Diannulated 1,4,2-Diazaphospholium Triflate Salts.

K. Schwedtmann, J. Weigand, A. Frontera, 2020, The Journal of organic chemistry.

Synthesis, Substitution, and Oxidation of Imidazole‐2‐thione Based Tricyclic 1,4‐Dihydro‐1,4‐diphosphinines

G. Schnakenburg, A. Frontera, R. Streubel, 2018 .

Diaryliodonium Tetrachloroplatinates(II): Recognition of a Trifurcated Metal-Involving μ3-I···(Cl,Cl,Pt) Halogen Bond

G. Resnati, A. Frontera, P. Postnikov, 2021, Crystal Growth & Design.

Ligand Steric Hindrances Switch Bridging (μ2-I)···O,O to Two-Center I···O Halogen-Bonding Mode in the Assembly of Diketonate Copper(II) Species

A. Frontera, A. Rozhkov, V. Kukushkin, 2021, Crystal Growth & Design.

Azine Steric Hindrances Switch Halogen Bonding to N-Arylation upon Interplay with σ-Hole Donating Haloarenenitriles.

A. Frontera, R. Gomila, S. Baykov, 2021, Chemistry, an Asian journal.

Spodium bonding in five coordinated Zn(ii): a new player in crystal engineering?

A. Frontera, A. Bauzá, T. J. Mooibroek, 2021 .

Coordination versus spodium bonds in dinuclear Zn(ii) and Cd(ii) complexes with a dithiophosphate ligand

A. Frontera, S. Pandey, Pretam Kumar, 2021, New Journal of Chemistry.

Intramolecular Spodium Bonds in Zn(II) Complexes: Insights from Theory and Experiment

A. Frontera, S. Chattopadhyay, A. Bauzá, 2020, International journal of molecular sciences.

Structures, Photoresponse Properties, and Biological Activity of Dicyano-Substituted 4-Aryl-2-pyridone Derivatives

P. Ray, A. Dey, A. Frontera, 2019, ACS omega.

Structures, photoresponse properties and DNA binding abilities of 4-(4-pyridinyl)-2-pyridone salts

P. Ray, A. Dey, A. Frontera, 2019, RSC advances.

Electronic Structure of N2P2 Four-Membered Rings and the Effect of Their Ligand Coordination to M(CO)5 (Cr, Mo, and W)

A. Frontera, D. Escudero, R. Streubel, 2015 .

Diaryliodonium as a double σ-hole donor: the dichotomy of thiocyanate halogen bonding provides divergent solid state arylation by diaryliodonium cations

A. Frontera, P. Postnikov, M. Yusubov, 2020, Organic Chemistry Frontiers.

A comparative experimental and theoretical investigation of hydrogen-bond, halogen-bond and π-π interactions in the solid-state supramolecular assembly of 2- and 4-formylphenyl arylsulfonates.

A. Frontera, J. Simpson, M. Tahir, 2018, Acta crystallographica. Section C, Structural chemistry.

DFT analysis of supra-molecular assemblies of substituted 4H-pyran derivatives

Monika Gupta, A. Frontera, N. Sharma, 2020 .

Recurrent π–π stacking motifs in three new 4,5-dihydropyrazolyl–thiazole–coumarin hybrids: X-ray characterization, Hirshfeld surface analysis and DFT calculations

M. Hafeez, A. Frontera, M. Tahir, 2020 .

Synthesis, crystal structure, antimicrobial screening and density functional theory calculation of nickel(II), cobalt(II) and zinc(II) mononuclear Schiff base complexes

S. Mitra, A. Frontera, G. Pilet, 2015 .

Synthesis, characterization, DNA binding ability, in vitro cytotoxicity, electrochemical properties and theoretical studies of copper(II) carboxylate complexes

Priyatosh Nath, D. Maiti, Subhadip Roy, 2021 .

Use of metalloligands [CuL] (H2L = salen type di-Schiff bases) in the formation of heterobimetallic copper(II)-uranyl complexes: photophysical investigations, structural variations, and theoretical calculations.

A. Frontera, A. Bauzá, Ashutosh Ghosh, 2013, Inorganic chemistry.

Role of Redox-Inactive Metal Ions in Modulating the Reduction Potential of Uranyl Schiff Base Complexes: Detailed Experimental and Theoretical Studies.

S. Maity, A. Frontera, Ashutosh Ghosh, 2022, Inorganic chemistry.

The effect of guest metal ions on the reduction potentials of uranium(VI) complexes: Experimental and theoretical investigations.

M. Drew, A. Frontera, A. Franconetti, 2019, Chemistry.

A new solvated complex of the uranyl ion (UO22+) with 8-hydroxyquinoline

J. Mague, M. Mirzaei, A. Frontera, 2015 .

Solvent-driven structural topology involving energetically significant intra- and intermolecular chelate ring contacts and anticancer activities of Cu(ii) phenanthroline complexes involving benzoates: experimental and theoretical studies

A. Frontera, A. Verma, A. Das, 2019, RSC advances.

A novel oxalato bridged supramolecular ternary complex of Cu(II) involving energetically significant π-hole interaction: Experimental and theoretical studies

A. Frontera, D. Dutta, Hirendra Nath, 2019, Inorganica Chimica Acta.

Two types of nitrito support for μ₄-oxido-bridged [Cu₄] complexes: synthesis, crystal structures, magnetic properties and DFT analysis.

Silvia Gómez-Coca, A. Frontera, Jeff Lengyel, 2015, Dalton transactions.

Synthesis, spectroscopic findings and crystal engineering of Pb(ii)–Salen coordination polymers, and supramolecular architectures engineered by σ-hole/spodium/tetrel bonds: a combined experimental and theoretical investigation

A. Frontera, Sourav Das, R. Gomila, 2022, RSC advances.

A theoretical insight on the anion⋯anion interactions observed in the solid state structure of a hetero-trinuclear complex

A. Frontera, Kousik Ghosh, S. Chattopadhyay, 2021 .

Unprecedented structural variations in trinuclear mixed valence Co(II/III) complexes: theoretical studies, pnicogen bonding interactions and catecholase-like activities.

A. Frontera, R. Kadam, A. Bauzá, 2015, Dalton transactions.

Anion dependent supramolecular architectures in Cu(II) complexes containing N2O-donor Schiff-base and 4,4′-bipyridine ligands: Structural analyses and theoretical studies

A. Frontera, S. Chattopadhyay, A. Bauzá, 2016 .

Observation of π-hole interactions in the solid state structures of three new copper(II) complexes with a tetradentate N4 donor Schiff base: Exploration of their cytotoxicity against MDA-MB 468 cells

M. Drew, A. Frontera, S. Chattopadhyay, 2017 .

Effect of temperature and ligand protonation on the electronic ground state in Cu(ii) polymers having unusual secondary interactions: a magnetic and catechol oxidase study.

S. Mitra, A. Frontera, E. Garribba, 2018, Dalton transactions.

Chloranilate bridged dinuclear copper(ii) complexes: syn–anti geometry tuned by the steric factor and supramolecular interactions

A. Frontera, A. Franconetti, Ashutosh Ghosh, 2019, CrystEngComm.

Cis-trans isomerism in diphenoxido bridged dicopper complexes: role of crystallized water to stabilize the cis isomer, variation in magnetic properties and conversion of both into a trinuclear species.

M. Drew, A. Frontera, A. Bauzá, 2012, Dalton transactions.

Triple-bridged ferromagnetic nickel(II) complexes: a combined experimental and theoretical DFT study on stabilization and magnetic coupling.

A. Frontera, A. Bauzá, Ashutosh Ghosh, 2014, Dalton transactions.

Hydrogen-bond assisted stabilization of the less favored conformation of a tridentate Schiff base ligand in dinuclear nickel(II) complex: An experimental and theoretical study

M. Drew, C. Estarellas, A. Frontera, 2010 .

A polynuclear and two dinuclear copper(II) Schiff base complexes: Synthesis, characterization, self-assembly, magnetic property and DFT study

A. Frontera, S. Chattopadhyay, A. Bauzá, 2017 .

Catecholase activity, DNA binding and cytotoxicity studies of a Cu(II) complex of a pyridoxal schiff base: synthesis, X-ray crystal structure, spectroscopic, electrochemical and theoretical studies

A. Blake, A. Frontera, S. Chattopadhyay, 2016 .

A dodecanuclear copper(II) cage self-assembled from six dicopper building units.

R. Clérac, C. Mathonière, A. Frontera, 2014, Dalton transactions.

A combined experimental and theoretical investigation on the role of halide ligands on the catecholase-like activity of mononuclear nickel(II) complexes with a phenol-based tridentate ligand.

D. Das, A. Frontera, Sudhanshu Das, 2013, Inorganic chemistry.

Observation of an anion⋯anion interaction in a square planar copper(II) Schiff base complex: DFT study and CSD analysis

Subhasish Subhasish, A. Frontera, S. Chattopadhyay, 2019, Inorganica Chimica Acta.

Synthesis, crystal structure, magnetic property and DFT calculations of an unusual dinuclear μ2-alkoxido bridged iron(III) complex.

A. Frontera, A. Bauzá, Ashutosh Ghosh, 2013, Dalton transactions.

5,5′-Dibenzoimidazole as building block for a new 3D Co(II) coordination polymer: A combined EPR and DFT study using UB3LYP model

C. Massera, A. Frontera, E. Garribba, 2019, Polyhedron.

Spectral, electrochemical and DFT studies of a trimetallic CuII Derivative: Antimycobacterial and cytotoxic activity

Amitabha Datta, Eugenio Garribba, Antonio Frontera, 2019, Inorganica Chimica Acta.

A New phenoxido/trifluoroacetato bridged heterometallic NiII2CuII derivative: Structure, EPR interpretation and DFT computation

A. Frontera, E. Garribba, S. Mendiratta, 2019, Journal of Molecular Structure.

EPR interpretation, magnetism and biological study of a Cu(II) dinuclear complex assisted by a schiff base precursor

C. Massera, C. Sinha, A. Frontera, 2017, JBIC Journal of Biological Inorganic Chemistry.

A rare doubly nitrato and phenoxido bridged trimetallic CuII complex: EPR, antiferromagnetic coupling and theoretical rationalization

C. Sinha, A. Frontera, E. Garribba, 2016 .

σ-Hole halogen bonding interactions in a mixed valence cobalt(III/II) complex and anti-electrostatic hydrogen bonding interaction in a cobalt(III) complex: a theoretical insight

A. Frontera, Kousik Ghosh, S. Chattopadhyay, 2018 .

One pot synthesis of two cobalt(iii) Schiff base complexes with chelating pyridyltetrazolate and exploration of their bio-relevant catalytic activities

Abhisek Banerjee, A. Frontera, Kousik Ghosh, 2018, RSC advances.

Nuclearity versus oxidation state in the catalytic efficiency of MnII/III azo Schiff base complexes: computational study on supramolecular interactions and phenoxazinone synthase-like activity

Saikat Banerjee, P. Brandão, A. Saha, 2017 .

A combined experimental and computational study on supramolecular assemblies in hetero-tetranuclear nickel(ii)-cadmium(ii) complexes with N2O4-donor compartmental Schiff bases.

A. Frontera, S. Chattopadhyay, A. Bauzá, 2016, Dalton transactions.

Exploitation of the electron deficient outer O4 compartment of a compartmental Schiff base to act as H-bond acceptors in forming a self-assembled dimer of a manganese(III) complex: A joint experimental and theoretical venture

A. Frontera, S. Chattopadhyay, P. K. Bhaumik, 2020 .

Chelate ring stacking interactions in the supramolecular assemblies of Zn(II)and Cd(II) coordination compounds: a combined experimental and theoretical study

A. Frontera, F. Zubkov, A. Gurbanov, 2017 .

EPR, DFT and electrochemical interpretation of a Cu(II) derivative incorporating a Schiff base precursor

A. Frontera, Sanchita Goswami, E. Garribba, 2019, Polyhedron.

A theoretical insight into the formation of chalcogen bonding (ChB) interactions involving coordinated DMSO molecules as σ-hole donors and benzoate groups as σ-hole acceptors in a dinuclear copper(ii) complex

A. Frontera, S. Chattopadhyay, R. Gomila, 2021 .

Energetically significant unconventional O H⋯π contacts involving discrete guest (H2O)8 clusters in a fumarato bridged polymeric supramolecular host of Ni(II) phenanthroline: Antiproliferative evaluation and theoretical studies

A. Frontera, A. Verma, A. Das, 2020 .

Self-assembled molecular complexes and coordination polymers of CdII, hexamine, and monocarboxylates: structural analysis and theoretical studies of supramolecular interactions

M. Drew, A. Frontera, D. Escudero, 2010 .

Exploration of unconventional π–hole and C–H⋯H–C types of supramolecular interactions in a trinuclear Cd(II) and a heteronuclear Cd(II)–Ni(II) complex and experimental evidence for preferential site selection of the ligand by 3d and 4d metal ions

Saikat Banerjee, A. Saha, A. Frontera, 2016 .

Trinuclear and tetranuclear adduct formation between sodium perchlorate and copper(II) complexes of salicylaldimine type ligands: Structural characterization and theoretical investigation

M. Drew, C. Estarellas, A. Frontera, 2011 .

Accidental Orthogonality Induced Weak Magnetic Coupling in a Dinuclear Copper(II) Complex: Exploration of Unconventional C‐H⋅⋅⋅π(SCN) Interactions and Catechol Oxidase Activity

A. Frontera, S. Chattopadhyay, Sourav Roy, 2017 .

Antiproliferative evaluation and supramolecular association in Mn(II) and Zn(II) bipyridine complexes: Combined experimental and theoretical studies.

A. Frontera, A. Verma, B. Sarma, 2019, Journal of inorganic biochemistry.

Relation between the catalytic efficiency of the synthetic analogues of catechol oxidase with their electrochemical property in the free state and substrate-bound state.

D. Das, E. Zangrando, A. Frontera, 2014, Inorganic chemistry.

Electron belt-to-σ-hole switch of noncovalently bound iodine(i) atoms in dithiocarbamate metal complexes

A. A. Eliseeva, A. Frontera, V. Kukushkin, 2021 .

Synthesis of Ni(II)-Mn(II) complexes using a new mononuclear Ni(II) complex of an unsymmetrical N2O3 donor ligand: structures, magnetic properties and catalytic oxidase activity.

S. Maity, A. Frontera, Ashutosh Ghosh, 2021, Dalton transactions.

Ligand-Flexibility Controlled and Solvent-Induced Nuclearity Conversion in CuII-Based Catecholase Models: A Deep Insight Through Combined Experimental and Theoretical Investigations

D. Das, E. Zangrando, A. Frontera, 2017 .

A facile biomimetic catalytic activity through hydrogen atom abstraction by the secondary coordination sphere in manganese(III) complexes.

P. Brandão, A. Frontera, N. Jana, 2020, Dalton transactions.

Synthesis, structural characterization, theoretical calculations and catecholase mimetic activity of manganese-Schiff base complexes

S. Mitra, E. Zangrando, A. Frontera, 2014 .

Self-assembly synthesis, structure, topology, and magnetic properties of a mononuclear Fe(iii)-violurate derivative: a combined experimental and theoretical study.

R. Boča, Subhadip Roy, A. Kirillov, 2016, Dalton transactions.

Methylene spacer regulated variation in conformation of tetradentate N2O2 donor Schiff bases trapped in manganese(III) complexes

M. Drew, A. Frontera, S. Chattopadhyay, 2018 .

A combined experimental and computational study of supramolecular assemblies in ternary copper(II) complexes with a tetradentate N4 donor Schiff base and halides

M. Drew, P. Jana, A. Frontera, 2014 .

Synthesis and investigation of solid and solution state structures of nickel(II) complexes with 1,3-dimethyl-5-(arylazo)-6-aminouracil

Subhadip Roy, A. Frontera, T. Misra, 2016 .

Design of a dual sensing highly selective cyanide chemodosimeter based on pyridinium ring chemistry

C. Estarellas, A. Frontera, S. Mashraqui, 2011 .

The role of π–π stacking and hydrogen-bonding interactions in the assembly of a series of isostructural group IIB coordination compounds

A. Frontera, M. Senge, Keith J. Flanagan, 2019, Acta crystallographica. Section C, Structural chemistry.

Bioactive Heterometallic CuII–ZnII Complexes with Potential Biomedical Applications

D. Das, E. Zangrando, S. Gómez‐Ruiz, 2018, ACS omega.

Design of end-on cyanato bridged trinuclear Cu(II) Schiff base complex with salen type Schiff base ligand: synthesis, structural investigation and DFT study

S. Mitra, A. Frontera, G. Pilet, 2017 .

Unveiling the effects of the in situ generated arene anion radical and imine radical on catecholase like activity: a DFT supported experimental investigation.

D. Das, A. Frontera, A. Bauzá, 2017, Dalton transactions.

Theoretical investigation on molecular structure of a new mononuclear copper(II) thiocyanato complex with tridentate Schiff base ligand

S. Mitra, A. Frontera, R. Butcher, 2017 .

Synthesis, structure, physicochemical characterization and theoretical evaluation of non-covalent interaction energy of a polymeric copper(II)-hydrazone complex

A. Frontera, E. Garribba, C. Gómez‐García, 2019, Inorganica Chimica Acta.

Molecular recognition of nucleotides in water by scorpiand-type receptors based on nucleobase discrimination.

E. Garcı́a-España, A. Frontera, S. Blasco, 2014, Chemistry.

A new family of Ni4 and Ni6 aggregates from the self-assembly of [Ni2] building units: role of carboxylate and carbonate bridges.

A. Frontera, E. Colacio, A. Bauzá, 2015, Inorganic chemistry.

Dinuclear and heptanuclear nickel(II) complexes: Anion coordination induced ligand arm hydrolysis and aggregation around a nickel(II) core

A. Frontera, V. Bertolasi, A. Bauzá, 2013 .

3-Picoline mediated self-assembly of M(II)-malonate complexes (M = Ni/Co/Mn/Mg/Zn/Cu) assisted by various weak forces involving lone pair-π, π-π, and anion···π-hole interactions.

P. Ballester, A. Frontera, A. Bauzá, 2014, The journal of physical chemistry. B.

A combined experimental and theoretical study of the supramolecular self-assembly of Cu(II) malonate complex assisted by various weak forces and water dimer

A. Frontera, M. Helliwell, A. Bauzá, 2014 .

Hydrothermal synthesis, X-ray structure and DFT and magnetic studies of a (H2SiW12O40)(2-) based one-dimensional linear coordination polymer.

J. Mague, M. Mirzaei, A. Frontera, 2015, Dalton transactions.

Copper‐Assisted Hemiacetal Synthesis: A CuII Chain Obtained by a One‐Step in situ Reaction of Picolinaldehyde

S. Mitra, A. Frontera, C. Gómez‐García, 2014 .

Binuclear and tetranuclear Zn(ii) complexes with thiosemicarbazones: synthesis, X-ray crystal structures, ATP-sensing, DNA-binding, phosphatase activity and theoretical calculations

A. Frontera, S. Chattopadhyay, S. Herron, 2020, RSC advances.

A new oxo centered basic p-chlorobenzoate bridging heterotrinuclear complex, [Cr2MnO(C7H4O2Cl)6(Py)3]C7H5O2Cl: Synthesis, X-ray crystal structure and theoretical DFT study

M. Mirzaei, A. Frontera, A. Bauzá, 2014 .

Cd(II) coordination polymer of fumaric acid and pyridyl-hydrazide Schiff base: Structure, photoconductivity and theoretical interpretation

P. Ray, C. Sinha, A. Frontera, 2021 .

Three mononuclear octahedral cobalt(III) complexes with salicylaldimine Schiff bases: Synthesis, characterization, phenoxazinone synthase mimicking activity and DFT study on supramolecular interactions

Subhasish Subhasish, Abhisek Banerjee, A. Frontera, 2016 .

Synthesis, structural and DFT interpretation of a Schiff base assisted Mn(III) derivative

C. Massera, A. Frontera, E. Garribba, 2020 .

Combined Experimental and Theoretical Investigation of Ligand and Anion Controlled Complex Formation with Unprecedented Structural Features and Photoluminescence Properties of Zinc(II) Complexes

D. Das, E. Zangrando, A. Frontera, 2014 .

Dicopper(II)-EDTA Chelate as a Bicephalic Receptor Model for a Synthetic Adenine Nucleoside

M. E. García-Rubiño, D. Choquesillo-Lazarte, L. Lezama, 2021, Pharmaceuticals.

Two new hydrogen-bonded supramolecular dioxo-molybdenum(VI) complexes based on acetyl-hydrazone ligands: Synthesis, crystal structure and DFT studies

A. Frontera, G. Pilet, A. Bauzá, 2021 .

Two mixed-ligand cadmium(II) compounds bearing 5-nitrosopyrimidine and N-donor aromatic blocks: self-assembly generation, structural and topological features, DFT studies, and Hirshfeld surface analysis

Subhadip Roy, A. Kirillov, A. Frontera, 2016 .

Supramolecular interactions through lone pair(lp)–π and hydrogen bonding in cobalt(III) and manganese(II) derivatives of N,N′-dimethylvioluric acid: A combined experimental and theoretical study

Subhadip Roy, A. Kirillov, A. Frontera, 2015 .

Cadmium(II) complexes containing N,N′-dimethylviolurate as ligand or counteranion: synthesis, characterization, crystal structures and DFT study

Subhadip Roy, A. Frontera, Subrata Das, 2015 .

Analysis of energies of halogen and hydrogen bonding interactions in the solid state structures of vanadyl Schiff base complexes

M. Drew, A. Frontera, A. Franconetti, 2019, RSC advances.

Stabilization of two conformers via intra- or inter-molecular hydrogen bonds in a dinuclear vanadium(v) complex with a pendant Schiff base: theoretical insight

M. Drew, A. Frontera, A. Franconetti, 2019, RSC advances.

A combined experimental and computational study of supramolecular assemblies in two photoluminescent cadmium(II) complexes with halosalicylaldimine Schiff bases

Subhasish Subhasish, A. Frontera, S. Chattopadhyay, 2016 .

Importance of chelate–chelate stacking interactions in crystal structures of square pyramidal copper(II) complexes with two distinct chelating bidentate ligands

Subhasish Subhasish, A. Frontera, S. Chattopadhyay, 2016 .

Synthesis, X-ray characterization, DFT calculations and Hirshfeld surface analysis of thiosemicarbazone complexes of Mn+ ions (n = 2, 3; M = Ni, Cd, Mn, Co and Cu)

A. Frontera, A. Rheingold, A. Bauzá, 2016 .

New pyridoxal based chemosensor for selective detection of Zn2+: Application in live cell imaging and phosphatase activity response

J. Biswas, S. K. Mandal, A. Frontera, 2017 .

Role of ligand backbone of tridentate Schiff-base on complex nuclearity and bio-relevant catalytic activities of zinc(II) complexes: Experimental and theoretical investigations

D. Das, E. Zangrando, A. Frontera, 2014 .

A family of [Cu2], [Cu4] and [Cu5] aggregates: alteration of reaction conditions, ancillary bridges and capping anions

A. Frontera, M. Murrie, D. Escudero, 2018 .

Synthesis of Multinuclear Zn(II) Complexes Involving 8‐Aminoquinoline‐ Based Schiff‐Base Ligand: Structural Diversity, DNA Binding Studies and Theoretical Calculations.

P. Brandão, A. Saha, A. Frontera, 2018, ChemistrySelect.

Reversible switching of the electronic ground state in a pentacoordinated Cu(II) complex.

R. Butcher, S. Mitra, A. Frontera, 2013, Chemical communications.

Crystal Engineering of Pb(II)-Salen Coordination Polymer Enforced for The Selective Fluorescence NACs Sensing Activity in a Dispersed Aqueous Medium: A Combined Experimental and Theoretical DFT Monologue

A. Frontera, Sourav Roy, Tapan K. Pal, 2022, Journal of Molecular Structure.

Change in molecular shapes of the trinuclear CuII2ZnII complexes on Schiff base reduction: structural and theoretical investigations

M. Drew, A. Frontera, Ashutosh Ghosh, 2021 .

Differences in nuclearity, molecular shapes, and coordination modes of azide in the complexes of Cd(II) and Hg(II) with a "metalloligand" [CuL] (H2L = N,N'-bis(salicylidene)-1,3-propanediamine): characterization in solid and in solutions, and theoretical calculations.

A. Frontera, R. Kadam, A. Bauzá, 2012, Inorganic chemistry.

Enclathration of Mn(II)(H2O)6 Guests and Unusual Cu⋯O bonding Contacts in Supramolecular Assemblies of Mn(II) Co-crystal Hydrate and Cu(II) Pyridinedicarboxylate: Antiproliferative Evaluation and Theoretical Studies

A. Frontera, A. Verma, M. Barceló-Oliver, 2022, Polyhedron.

Charge Assisted Hydrogen Bonded Assemblies and Unconventional O∙∙∙O Dichalcogen Bonding Interactions in Pyrazole-Based Isostructural Ni(II) and Mn(II) Compounds involving Anthraquinone Disulfonate: Antiproliferative Evaluation and Theoretical Studies

A. Frontera, A. Verma, Pranay Sharma, 2021, Journal of Molecular Structure.

Benzoato bridged dinuclear Mn(II) and Cu(II) compounds involving guest chlorobenzoates and dimeric paddle wheel supramolecular assemblies: Antiproliferative evaluation and theoretical studies

A. Frontera, A. Verma, Debasish Dutta, 2021 .

Biologically relevant unusual cooperative assemblies and fascinating infinite crown-like supramolecular nitrate–water hosts involving guest complex cations in bipyridine and phenanthroline-based Cu(ii) coordination compounds: antiproliferative evaluation and theoretical studies

A. Frontera, A. Verma, Sahid Hussain, 2021 .

Syntheses of four new asymmetric Schiff bases and their Cu(II) complexes: Theoretical calculations to rationalize the packing of molecules in the crystals

M. Drew, A. Frontera, A. Bauzá, 2018 .

A Combined Experimental and Theoretical Study to Demonstrate the Importance of V2o4 Synthon in the Crystal Packing of an Oxo-Bridged Dinuclear Vanadium(V) Complex with V2o4 Core

M. Drew, A. Frontera, S. Chattopadhyay, 2022, SSRN Electronic Journal.

A combined experimental and theoretical study on supramolecular assemblies in octahedral cobalt(III) salicylaldimine complexes having pendant side arms

Subhasish Subhasish, Abhisek Banerjee, A. Frontera, 2016 .

Auxiliary Part of Ligand Mediated Unique Coordination Chemistry of Copper (II)

D. Das, E. Zangrando, A. Frontera, 2016 .

Exploring the coordinative adaptation and molecular shapes of trinuclear CuM(II) (M = Zn/Cd) complexes derived from salen type Schiff bases: structural and theoretical studies.

A. Frontera, A. Bauzá, Ashutosh Ghosh, 2016, Dalton transactions.

An unusual nitroso⋯nitroso interaction in the coordination polymer structures of Ni(II) and Co(II) complexes with the α,ω-bis(benzotriazoloxy)alkane system

S. Mitra, A. Frontera, G. Pilet, 2014 .

Estimation of conventional C-Hπ (arene), unconventional C-Hπ (chelate) and C-Hπ (thiocyanate) interactions in hetero-nuclear nickel(ii)-cadmium(ii) complexes with a compartmental Schiff base.

M. Drew, A. Frontera, S. Chattopadhyay, 2017, Dalton transactions.

Phenoxido mediated antiferromagnetic and azide mediated ferromagnetic coupling in two dinuclear ferromagnetic nickel(ii) complexes with isomeric Schiff bases: a theoretical insight on the pathway of magnetic interaction

M. Drew, A. Frontera, S. Chattopadhyay, 2021 .

Tetranuclear manganese(II) complexes of hydrazone and carbohydrazone ligands: Synthesis, crystal structures, magnetic properties, Hirshfeld surface analysis and DFT calculations

S. Lofland, W. Kaminsky, Jan K. Zaręba, 2016 .

Synthesis, structure, magnetic property and self-assembly of two double end-on azide bridged ferromagnetic nickel(II) complexes with distinct bidentate blocking ligands: A combined experimental and theoretical study

M. Das, P. Jana, A. Frontera, 2015 .

Unraveling the dual character of sulfur atoms in a series of Hg(II) coordination polymers containing bis(4-pyridyl)disulfide

A. Morsali, A. Tehrani, A. Frontera, 2017 .

Pseudohalides regulated diverse helicity in copper(II) coordination polymers derived from a bis(aminoethoxy) ligand

P. Brandão, A. Frontera, N. Jana, 2017 .

Supramolecular assemblies involving biologically relevant antiparallel π-stacking and unconventional solvent driven structural topology in maleato and fumarato bridged Zn(ii) coordination polymers: antiproliferative evaluation and theoretical studies

A. Frontera, A. Verma, Sahid Hussain, 2021 .

Energetically significant unconventional π-π contacts involving fumarate in a novel coordination polymer of Zn(II): In-vitro anticancer evaluation and theoretical studies

A. Frontera, A. Verma, A. Das, 2019, Inorganica Chimica Acta.

An insight into the role of supramolecular interactions to stabilize the solid state structure of an octahedral nickel(II) diamine complex

A. Frontera, S. Chattopadhyay, P. K. Bhaumik, 2021 .

Non-covalent tetrel bonding interactions in hemidirectional lead(ii) complexes with nickel(ii)-salen type metalloligands

M. Drew, A. Frontera, S. Chattopadhyay, 2018 .

Anion induced formation of supramolecular associations involving lone pair-π and anion-π interactions in Co(II) malonate complexes: experimental observations, Hirshfeld surface analyses and DFT studies.

A. Frontera, Amrita Das, M. Helliwell, 2012, Inorganic chemistry.

Supramolecular Self-Assembly of M-IDA Complexes Involving Lone-Pair···π Interactions: Crystal Structures, Hirshfeld Surface Analysis, and DFT Calculations [H2IDA = iminodiacetic acid, M = Cu(II), Ni(II)]

C. Estarellas, A. Frontera, I. Saha, 2011 .

Supramolecular association involving nitrile–nitrile interactions in polymeric Mn(II) coordination complexes: A combined experimental and theoretical study

A. Frontera, D. Dutta, S. M. Nashre-ul-Islam, 2019, Inorganica Chimica Acta.

Cooperative influence of pseudohalides and ligand backbone of Schiff-bases on nuclearity and stereochemistry of cobalt(iii) complexes: experimental and theoretical investigation.

D. Das, S. Ganguly, A. Frontera, 2017, Dalton transactions.

Diverse structural assemblies of U-shaped hydrazinyl-sulfonamides: experimental and theoretical analysis of non-covalent interactions stabilizing solid state conformations

A. Frontera, J. Simpson, M. Tahir, 2019, CrystEngComm.

Observation of novel oxygen⋯oxygen interaction in supramolecular assembly of cobalt(III) Schiff base complexes: a combined experimental and computational study

K. Rissanen, M. Das, A. Frontera, 2015 .

Synthesis and supramolecular self-assembly of thioxothiazolidinone derivatives driven by H-bonding and diverse π–hole interactions: A combined experimental and theoretical analysis

A. Frontera, J. Simpson, M. Tahir, 2017 .

Rationalization of noncovalent interactions within six new MII/8-aminoquinoline supramolecular complexes (MII = Mn, Cu, and Cd): A combined experimental and theoretical DFT study

J. Mague, P. Ballester, M. Mirzaei, 2015 .

Indirect influence of alkyl substituent on sigma-hole interactions: The case study of antimony(III) diphenyldithiophosphates with covalent Sb-S and non-covalent Sb⋯S pnictogen bonds

A. K. Jassal, P. Sood, Jan K. Zaręba, 2019, Polyhedron.

New Chlorido(dimethyl sulfoxide)iridium(III) Complexes with N6‐Substituted Adenines – Kinetic N(7) versus Thermodynamic N(9) Coordinated Adenine Isomers

D. Quiñonero, E. Molins, C. Estarellas, 2010 .

Halogen bonding versus chalcogen and pnicogen bonding: a combined Cambridge structural database and theoretical study

D. Quiñonero, A. Frontera, P. M. Deyà, 2013 .

On the supramolecular properties of neutral, anionic and cationic cadmium complexes harvested from dithiolate–polyamine binary ligand systems

S. Adhikari, Subhadip Roy, Jan K. Zaręba, 2020 .

Synthesis, crystal structures, magnetic properties and DFT calculations of nitrate and oxalate complexes with 3,5 dimethyl-1-(2′-pyridyl)-pyrazole-Cu(II)

A. Frontera, A. Bauzá, M. S. E. Fallah, 2015 .

Concurrent agostic and tetrel bonding interactions in lead(ii) complexes with an isonicotinohydrazide based ligand and several anions.

A. Frontera, A. Bauzá, G. Mahmoudi, 2016, Dalton transactions.

Synthesis, X-ray characterization and DFT studies of N-benzimidazolyl-pyrimidine–M(II) complexes (M = Cu, Co and Ni): the prominent role of π-hole and anion–π interactions

P. Ballester, E. Molins, A. Frontera, 2015 .

Crystal structures and DFT calculations of new chlorido-dimethylsulfoxide-M(III) (M = Ir, Ru, Rh) complexes with the N-pyrazolyl pyrimidine donor ligand: kinetic vs. thermodynamic isomers.

P. Ballester, E. Molins, F. Hussain, 2014, Dalton transactions.

Complexes of Zinc(II) with N-Imidazolyl- and N-Pyrazolylpyrimidine Donor Ligands: Synthesis, Crystal Structures, and Theoretical Study

E. Molins, A. Frontera, P. M. Deyà, 2012 .

Synthesis, X-ray characterization and computational studies of Cu(II) complexes of N-pyrazolyl pyrimidine.

E. Molins, A. Frontera, P. M. Deyà, 2012, Dalton transactions.

Iridium(III) coordination of N(6) modified adenine derivatives with aminoacid chains.

J. Lorenzo, A. Frontera, J. Ortega-Castro, 2020, Journal of inorganic biochemistry.

Magnetically separable nanocatalyst (IL@CuFe2O4-L-Tyr-TiO2/TiTCIL): Preparation, characterization and its applications in 1,2,3-triazole synthesis and in photodegradation of MB

Monika Gupta, A. Frontera, N. Sharma, 2021 .

Synthesis, structure, and binding properties of lipophilic cavitands based on a calix[4]pyrrole-resorcinarene hybrid scaffold.

P. Ballester, A. Frontera, Eduardo C. Escudero‐Adán, 2014, The Journal of organic chemistry.

Methylene spacer regulated variation in supramolecular assembly of zinc(ii) dicyanamide complexes with reduced Schiff base ligands: synthesis, structure and DFT study

A. Frontera, S. Chattopadhyay, Mainak Karmakar, 2020, CrystEngComm.

A novel method for copper(II) mediated region-selective bromination of aromatic rings under mild conditions

M. Drew, S. Jana, A. Frontera, 2016 .

An inorganic-organic hybrid supramolecular framework based on the γ-[Mo8O26]4- cluster and cobalt complex of aspartic acid: X-ray structure and DFT study.

J. Mague, M. Mirzaei, A. Frontera, 2019, Acta crystallographica. Section C, Structural chemistry.

Syntheses, structures, properties and DFT study of hybrid inorganic-organic architectures constructed from trinuclear lanthanide frameworks and Keggin-type polyoxometalates.

M. Mirzaei, A. Salimi, A. Frontera, 2014, Dalton transactions.

On the importance of antiparallel π–π interactions in the solid state of isatin-based hydrazides

A. Frontera, M. Tahir, A. Franconetti, 2019, New Journal of Chemistry.

Synthesis, X-ray characterization, Hirshfeld surface analysis and DFT calculations on tetrazolyl-phenol derivatives: H-bonds vs C–H…π/π…π interactions

A. Frontera, J. Simpson, M. Tahir, 2020 .

The influence of H-bonding on the 'ambidentate' coordination behaviour of the thiocyanate ion to Cd(II): a combined experimental and theoretical study.

A. Frontera, A. Bauzá, Ashutosh Ghosh, 2014, Dalton transactions.

Both end-on and end-to-end azide bridged tetranuclear ferromagnetic nickel(II) Schiff base complexes

M. Das, A. Frontera, S. Chattopadhyay, 2017 .

Hydrogen bond mediated intermolecular magnetic coupling in mononuclear high spin iron(iii) Schiff base complexes: synthesis, structure and magnetic study with theoretical insight

A. Frontera, C. Gómez‐García, S. Chattopadhyay, 2021, RSC advances.

Estimation of non-covalent CH⋯π, π⋯π (chelate ring) and hydrogen bonding interactions in vanadium(V) Schiff base complexes: Methylene spacer regulated variation in self-assembly

A. Frontera, S. Chattopadhyay, A. Bauzá, 2017 .

Reaction of Cu(II) Chelates with Uranyl Nitrate to Form a Coordination Complex or H-Bonded Adduct: Experimental Observations and Rationalization by Theoretical Calculations.

A. Frontera, Ashutosh Ghosh, R. Gomila, 2020, Inorganic chemistry.

Tri- and pentanuclear CuII–CdII complexes of N2O2 donor ligands with the variation of carboxylate coligands: Structural elucidation and theoretical study

M. Drew, A. Frontera, S. Ganguly, 2021 .

Tri-nuclear copper-cadmium complexes of a N2O2-donor ligand with the variation of counter anions: Structural elucidation and theoretical study on inter-molecular interactions

A. Frontera, S. Ganguly, A. Bauzá, 2019, Inorganica Chimica Acta.

Importance of C–H⋯π interactions in stabilizing the syn/anti arrangement of pendant alkoxy side arms in two manganese(IV) Schiff base complexes: exploration of catechol oxidase and phenoxazinone synthase like activities

A. Frontera, S. Chattopadhyay, K. Harms, 2017 .

On the Importance of Noncovalent Carbon-Bonding Interactions in the Stabilization of a 1D Co(II) Polymeric Chain as a Precursor of a Novel 2D Coordination Polymer.

A. Frontera, A. Bauzá, Prem Lama, 2016, The journal of physical chemistry. B.

Synthesis and crystal structures of three new lead(II) isonicotinoylhydrazone derivatives: Anion controlled nuclearity and dimensionality

A. Kirillov, A. Frontera, A. Gurbanov, 2017 .

Metal-organic and supramolecular lead(II) networks assembled from isomeric nicotinoylhydrazone blocks : the effects of ligand geometry and counter-ion on topology and supramolecular assembly

C. Ruiz-Pérez, A. Kirillov, A. Frontera, 2016 .

Inorganic–organic hybrid materials based on PbBr2 and pyridine–hydrazone blocks – structural and theoretical study

C. Ruiz-Pérez, A. Kirillov, A. Frontera, 2016 .

Modified-amino acid/peptide pyrimidine analogs: Synthesis, structural characterization and DFT study of N-(pyrimidyl) gabapentine and N-(pyrimidyl)baclofen

A. Frontera, M. Barceló-Oliver, A. García-Raso, 2021, New Journal of Chemistry.

Nickel(II) based homo- vs heterometallic 1D coordination polymers derived from a novel 6-aminouracil building block: Structures, topologies, non-covalent interactions, magnetism, and antibacterial activity

A. Kirillov, Rakesh Ganguly, A. Frontera, 2018, Inorganica Chimica Acta.

Bifurcated Halogen Bonding Involving Two Rhodium(I) Centers as an Integrated σ-Hole Acceptor

A. A. Eliseeva, A. Frontera, A. Rozhkov, 2021, JACS Au.

On the Mechanism of Lithiation of Hydric Aromatics: Direct NMR Evidence for Short H−Li Contacts in Mixed Aggregates1

A. Frontera, G. Martorell, J. M. Saa, 1996 .

Synthesis, structure, solution and DFT studies of a pyrazine-bridged binuclear Cu(II) complex: On the importance of noncovalent interactions in the formation of crystalline network

M. Shamsipur, M. Mirzaei, B. Notash, 2015 .

Insight into the formation of H-bonds propagating the monomeric zinc complexes of a tridentate reduced Schiff base to form an infinite chain

A. Frontera, S. Chattopadhyay, Mainak Karmakar, 2021 .

Theoretical study on the degree of delocalization of unpaired spin in two mixed valence copper(II/I) complexes with isomeric chelating diamines and iodide

S. Jana, A. Frontera, S. Chattopadhyay, 2016 .

A series of hydrogen bond mediated dinuclear nickel(II) complexes with reduced Schiff base ligands: An insight into the nature of their short intermolecular hydrogen bonds

M. Drew, Abhisek Banerjee, A. Frontera, 2020 .

Analyses of supramolecular interactions present in a coordination polymer of Mn(II) with 2-picolinate and 4,4′-Azobis(pyridine)

A. Frontera, A. Bauzá, Ashutosh Ghosh, 2014 .

A combined experimental and theoretical analysis of the solid-state supramolecular self-assembly of N-(2,4-dichlorophenyl)-1-naphthamide: Synthesis, anticholinesterase potential and molecular docking analysis

U. Flörke, A. Saeed, A. Frontera, 2019 .

Energetically significant cooperative π-stacked ternary assemblies in Ni(II) phenanthroline compounds involving discrete water clusters: Anticancer activities and theoretical studies

A. Frontera, A. Verma, B. Sarma, 2020 .

Anion-pi Interactions: do they exist?

David Quiñonero, Antonio Frontera, Pablo Ballester, 2002, Angewandte Chemie.

Kinetics and mechanism of the oxidation of hydroxylamine by a {Mn3O4}4+ core in aqueous acidic media.

D. Quiñonero, C. Estarellas, A. Frontera, 2011, Dalton transactions.

Formation of a water-mediated assembly of two neutral copper(II) Schiff base fragments with a Cu2(NCS)4 moiety: exploration of non-covalent C–H⋯π(bimetallo ring) interactions

M. Drew, A. Frontera, S. Chattopadhyay, 2018 .

A combined experimental and theoretical study to explore the importance of σ-Hole carbon bonding interactions in stabilizing molecular assemblies

M. Drew, A. Frontera, S. Chattopadhyay, 2017 .

Field-induced single-molecule magnet behaviour in a series of dinuclear cobalt(III,II) complexes

Abhisek Banerjee, A. Frontera, S. Chattopadhyay, 2022, Polyhedron.

Exploring 3D non-interpenetrated metal–organic framework with malonate-bridged Co(II) coordination polymer: structural elucidation and theoretical study

A. Frontera, A. Bauzá, Anowar Hossain, 2017 .

Supramolecular assemblies involving anion–π and lone pair–π interactions: experimental observation and theoretical analysis

C. Estarellas, A. Frontera, Biswajit Dey, 2011 .

Two new copper and nickel complexes of pyridine-2,6-dicarboxylic acid N-oxide and their proton transferred salts: Solid state and DFT insights

J. Mague, M. Mirzaei, A. Frontera, 2015 .

Energetically significant antiparallel π-stacking contacts in Co(II), Ni(II) and Cu(II) coordination compounds of pyridine-2,6-dicarboxylates: Antiproliferative evaluation and theoretical studies

A. Frontera, A. Verma, A. Das, 2020 .

Supramolecular association in Cu(II) and Co(II) coordination complexes of 3,5-dimethylpyrazole: Experimental and theoretical studies

A. Frontera, A. Gogoi, S. M. Nashre-ul-Islam, 2019, Inorganica Chimica Acta.

Relevant and unprecedented C-H/σ supramolecular interactions involving σ-aromatic M2X2 cores.

S. Mitra, A. Frontera, C. Rizzoli, 2014, Dalton transactions.

Solid-State Redox Chemistry: Preparation of 1,4-Naphthoquinone, Hydroquinone, and the Corresponding Mixed Quinhydrone in the Solid State

J. Morey, A. Frontera, 1995 .

Solvent driven structural topologies involving unconventional O H(methanol)⋯π contact and anti-cooperative HB⋯anion-π⋯HB assemblies with unusual enclathration of dual guest (H2O)4 cores in Mn(II) and Ni(II) coordination compounds: Antiproliferative evaluation and theoretical studies

A. Frontera, A. Verma, Debasish Dutta, 2021, Polyhedron.

Energetically significant anti-parallel π-stacking and unconventional anion-π interactions in phenanthroline based Ni(II) and Cu(II) coordination compounds: Antiproliferative evaluation and theoretical studies

A. Frontera, A. Verma, Sahid Hussain, 2020 .

Coordination Polymers Based on Phthalic Acid and Aminopyrazine Ligands: On the Importance of N–H···π Interactions

A. Frontera, A. Bauzá, Anowar Hossain, 2018, Polymers.

Supramolecularly Regulated Ligands for Asymmetric Hydroformylations and Hydrogenations.

A. Frontera, A. Bauzá, A. Vidal‐Ferran, 2015, Chemistry.

The first mixed-ligand coordination compound involving 8-aminoquinoline and pyridine-2,6-dicarboxylate: synthesis, X-ray crystal structure, and DFT studies

J. Mague, M. Mirzaei, A. Frontera, 2015 .

Charge-assisted hydrogen bond and nitrile⋯nitrile interaction directed supramolecular associations in Cu(ii) and Mn(ii) coordination complexes: anticancer, hematotoxicity and theoretical studies

A. Frontera, A. Verma, Pranay Sharma, 2020 .

Influence of ancillary ligands on preferential geometry and biomimetic catalytic activity in manganese(III)-catecholate systems: A combined experimental and theoretical study.

P. Brandão, A. Frontera, N. Jana, 2017, Journal of inorganic biochemistry.

A Schiff base platform: structures, sensing of Zn(ii) and PPi in aqueous medium and anticancer activity.

M. Drew, A. Frontera, Ritwik Modak, 2017, Dalton transactions.

Theoretical insight on the importance of CH···O and NH···O interactions in the crystal packing of a decavanadate synthesized from a simple V(IV) precursor

A. Frontera, S. Chattopadhyay, R. Gomila, 2023, Inorganica Chimica Acta.

An insight to the role of perchlorate counter ions and different non-covalent interactions in the solid state structures of mono-anionic malonic acid bridged trinuclear mixed valence cationic complexes of cobalt with tetradentate N2O2 donor ligands

A. Frontera, S. Chattopadhyay, R. Gomila, 2022, Inorganica Chimica Acta.

A tetrameric uudd type water cluster encapsulated in a dinuclear vanadium(V) Schiff base complex and its role in the formation of supramolecular assemblies: A joint experimental and theoretical study

A. Frontera, S. Chattopadhyay, Snehasish Thakur, 2021 .

Synthesis, characterization and DFT study on two copper(II) complexes with a naphthalene-based Schiff base: Examples of stronger chelate–chelate interactions than those reported for classical π–π complexes

A. Frontera, Pritam Giri, S. Chattopadhyay, 2019, Polyhedron.

Modulation in π⋯π, cation⋯π and C–H⋯H–C interactions varying the counter anions in square planar nickel(II) Schiff base complexes: A combined experimental and theoretical study

A. Frontera, S. Chattopadhyay, A. Bauzá, 2016 .

Synthesis, Structures, and DFT Study of CuBr Based Coordination Polymers via in Situ Reduction of Copper(II)

S. Jana, A. Frontera, S. Chattopadhyay, 2015 .

Coordination complexes of zinc and manganese based on pyridine-2,5-dicarboxylic acid N-oxide: DFT studies and antiproliferative activities consideration

J. Mague, M. Mirzaei, A. Frontera, 2021, RSC advances.

Recurrent Supramolecular Motifs in a Series of Acid–Base Adducts Based on Pyridine-2,5-Dicarboxylic Acid N-Oxide and Organic Bases: Inter- and Intramolecular Hydrogen Bonding

M. Mirzaei, Jan K. Zaręba, A. Frontera, 2020 .

Syntheses, crystal structures and supramolecular assemblies of two Cu(II) complexes based on a new heterocyclic ligand: Insights through C─H•••Cl and π•••π interactions

A. Frontera, Sudipta Pathak, S. Mukhopadhyay, 2022, CrystEngComm.

1-Ethyluracil, a New Scaffold for Preparing Multicomponent Forms: Synthesis, Characterization, and Computational Studies

E. Molins, A. Frontera, M. Barceló-Oliver, 2021, Crystal Growth & Design.

Suitable Interplay between Various Conventional and Unconventional Non‐Covalent Interactions in Forming Self‐Assembled Supramolecules of Two Ni(II)/Zn(II) Schiff Base Complexes

M. Drew, A. Frontera, S. Chattopadhyay, 2017 .

Recurrent supramolecular motifs in discrete complexes and coordination polymers based on mercury halides: prevalence of chelate ring stacking and substituent effects

Jan K. Zaręba, A. Frontera, A. Keramidas, 2018 .

Ab initio calculations on zinc porphyrins complexed to amines: geometrical details and NMR chemical shifts

D. Quiñonero, P. Ballester, A. Frontera, 2000 .

Tetrel-bonding interaction: rediscovered supramolecular force?

Antonio Bauzá, Antonio Frontera, A. Frontera, 2013, Angewandte Chemie.

From monomers to polymers: steric and supramolecular effects on dimensionality of coordination architectures of heteroleptic mercury(II) halogenide–tetradentate Schiff base complexes

V. Lynch, D. Choquesillo-Lazarte, K. Sivakumar, 2015 .

Estimating the energy of noncovalent interactions in a dioxovanadium(V) Schiff base complex: Exploration of its phenoxazinone synthase like activity

M. Drew, A. Frontera, S. Chattopadhyay, 2018 .

DABCO-directed self-assembly of bisporphyrins (DABCO=1,4-diazabicyclo[2.2.2]octane).

C. Hunter, P. Ballester, A. Frontera, 2005, Chemistry.

Synthesis and characterization of a mononuclear zinc(ii) Schiff base complex: on the importance of C–H⋯π interactions

A. Frontera, S. Chattopadhyay, Tanmoy Basak, 2021, RSC advances.

Tetrel Bonding Interactions.

A. Frontera, A. Bauzá, T. J. Mooibroek, 2016, Chemical record.

Cu(II)–N6-Alkyladenine Complexes: Synthesis, X-ray Characterization and Magnetic Properties

E. Molins, A. Frontera, A. Bauzá, 2018 .

Anion-reliant structural versatility of novel cadmium(II) complexes: Synthesis, crystal structures, photoluminescence properties and exploration of unusual O···S chalcogen bonding involving thiocyanate coligand

P. Brandão, A. Saha, A. Frontera, 2018 .

Recurrent π(arene)⋯π(chelate ring) motifs in four trinuclear CuII2MII (M = Cd/Zn) complexes derived from an unsymmetrical N2O2 donor ligand: structural and theoretical investigations

S. Maity, A. Frontera, Ashutosh Ghosh, 2020 .

Biologically relevant and energetically significant cooperative ternary (π–π)2/(π–π)1/(π–π)2 assemblies and fascinating discrete (H2O)21 clusters in isostructural 2,5-pyridine dicarboxylato Co(ii) and Zn(ii) phenanthroline compounds: antiproliferative evaluation and theoretical studies

A. Frontera, A. Verma, B. Sarma, 2021 .

On the Importance of π-Hole Beryllium Bonds: Theoretical Study and Biological Implications.

A. Frontera, A. Bauzá, 2017, Chemistry.

Directionality of π-holes in nitro compounds.

A. Frontera, A. Bauzá, T. J. Mooibroek, 2015, Chemical communications.

On the preferences of five-membered chelate rings in coordination chemistry: insights from the Cambridge Structural Database and theoretical calculations.

M. Mirzaei, A. Frontera, A. Franconetti, 2019, Dalton transactions.

Importance of polarization assisted/resonance assisted hydrogen bonding interactions and unconventional interactions in crystal formations of five new complexes bearing chelidamic acid through a proton transfer mechanism

M. Shamsipur, J. Mague, M. Mirzaei, 2015 .

On the importance of non covalent interactions in the structure of coordination Cu(II) and Co(II) complexes of pyrazine- and pyridine-dicarboxylic acid derivatives: experimental and theoretical views

J. Mague, P. Ballester, M. Mirzaei, 2014 .

Crystal engineering with coordination compounds of 2,6-dicarboxy-4-hydroxypyridine and 9-aminoacridine fragments driven by different nature of the face-to-face π⋯π stacking

M. Shamsipur, J. Mague, M. Mirzaei, 2014 .

A Ni(II) derivative incorporating tetradentate Schiff base precursor: Structure, spectral, electrochemical and DFT interpretation

C. Sinha, A. Frontera, Sanchita Goswami, 2018, Journal of Molecular Structure.

Supramolecular association in Cu(II) coordination complexes involving energetically significant NO⋯NO π–hole interaction and cooperative π-stacked ternary assembly: Experimental and theoretical studies

A. Frontera, A. Franconetti, D. Dutta, 2019, Inorganica Chimica Acta.

Werner type clathrates involving guest benzoic acid and benzoate in discrete Mn(II) hosts: Experimental and theoretical studies

A. Frontera, B. Sarma, A. Bauzá, 2019, Polyhedron.

Solvothermal synthesis and crystal structures of two Holmium(III)-5-Hydroxyisophthalate entangled coordination polymers and theoretical studies on the importance of π•••π stacking interactions

A. Frontera, Manesh Kumar, H. N. Sheikh, 2022, Journal of Molecular Structure.

Adipato bridged novel hexanuclear Cu(ii) and polymeric Co(ii) coordination compounds involving cooperative supramolecular assemblies and encapsulated guest water clusters in a square grid host: antiproliferative evaluation and theoretical studies.

A. Frontera, A. Verma, Pranay Sharma, 2020, Dalton transactions.

Zn(II) and Co(II) derivatives anchored with scorpionate precursor: Antiproliferative evaluation in human cancer cell lines.

A. R. Fernandes, A. Frontera, C. Roma-Rodrigues, 2019, Journal of inorganic biochemistry.

Copper(II) pseudohalide complexes with isomeric N2O donor Schiff base ligands: Synthesis, characterization and molecular dynamics simulations of interactions with DNA

M. Drew, Saurabh Das, S. Jana, 2016 .

Metal Coordination Enhances Chalcogen Bonds: CSD Survey and Theoretical Calculations

A. Frontera, A. Bauzá, Antonio Bauzá, 2022, International journal of molecular sciences.

Magneto-structural and theoretical study of the weak interactions in a Mn(II) complex with a very unusual N,O-chelating coordination mode of 2-aminoterephthalate

S. Mitra, A. Frontera, E. Garribba, 2017 .

Unconventional enclathration of guest adipic acid and energetically significant antiparallel π-stacked ternary assemblies involving unusual regium-π(chelate) contacts in phenanthroline-based Ni(II) and Cu(II) compounds—Antiproliferative evaluation and theoretical studies

A. Frontera, A. Verma, Kasturi Dutta, 2021 .

Unconventional DNA-relevant π-stacked hydrogen bonded arrays involving supramolecular guest benzoate dimers and cooperative anion–π/π–π/π–anion contacts in coordination compounds of Co(ii) and Zn(ii) phenanthroline: experimental and theoretical studies

A. Frontera, A. Verma, A. Das, 2020 .

Antiproliferative evaluation and supramolecular association involving electrostatically enhanced π-π interaction in isostructural coordination solids of Mn(II), Co(II) and Zn(II) chlorobenzoates: Experimental and theoretical studies

A. Frontera, A. Verma, Pranay Sharma, 2019 .

Cu(II) and Co(II) coordination solids involving unconventional parallel nitrile(π)‒nitrile(π) and energetically significant cooperative hydrogen bonding interactions: Experimental and theoretical studies

A. Frontera, D. Dutta, U. Saha, 2019, Journal of Molecular Structure.

Solvent-Triggered Cis/Trans Isomerism in Cobalt Dioxolene Chemistry: Distinguishing Effects of Packing on Valence Tautomerism.

C. Mathonière, A. Frontera, N. Jana, 2016, Inorganic chemistry.

Synthesis, X-ray characterization and theoretical study of all-cis 1,4:2,3:5,8:6,7-tetraepoxynaphthalenes: on the importance of the through-space α-effect

A. Frontera, V. Tran, A. Le, 2021, CrystEngComm.

Synthesis, X-ray characterization and theoretical study of 3a,6:7,9a-diepoxybenzo[de]isoquinoline derivatives: on the importance of F⋯O interactions

A. Frontera, V. Khrustalev, F. Zubkov, 2020 .

Synthesis and X‐ray Characterization of 4,5‐Dihydropyrazolyl‐Thiazoles Bearing a Coumarin Moiety: On the Importance of Antiparallel π‐Stacking

A. Frontera, Muhammad Mohsin Tahir, Mahmoud A. A. Ibrahim, 2022, ChemistrySelect.

Donor-acceptor interactions in tri(phosphonio)methanide dications [(Ph3P)2CP(X)Ph2]2+ (X = H, Me, CN, NCS, OH, Cl, OTf, F).

J. Weigand, A. Frontera, R. Fischer, 2017, Dalton transactions.

π-Hole spodium bonding in tri-coordinated Hg(II) complexes.

A. Frontera, A. Bauzá, T. J. Mooibroek, 2021, Dalton transactions.

Melamine-mediated self-assembly of a Cu(II)–methylmalonate complex assisted by π+–π+ and anti-electrostatic H-bonding interactions

A. Frontera, M. Helliwell, A. Bauzá, 2017 .

MII–Malonate Complexes (M = Mg, Cu, Ni and Co) Characterized by Layered Structures: Experimental Observation, Hirshfeld Surface Analysis and Theoretical Study

A. Frontera, Amrita Das, M. Helliwell, 2013 .

Direct conversion of white phosphorus to versatile phosphorus transfer reagents via oxidative onioation

K. Schwedtmann, J. Weigand, A. Frontera, 2022, Nature Chemistry.

Effect of a methyl group on the spontaneous resolution of a square-pyramidal coordination compound: crystal packing and conglomerate formation

M. Drew, P. Ballester, C. Estarellas, 2012 .

Putting anion-π interactions into perspective.

A. Frontera, M. Mascal, J. Reedijk, 2011, Angewandte Chemie.

Anion‐π Interactions

D. Quiñonero, P. Ballester, A. Frontera, 2006 .

Differentiating intramolecular spodium bonds from coordination bonds in two polynuclear zinc(ii) Schiff base complexes

A. Frontera, S. Chattopadhyay, R. Gomila, 2021 .

On the Versatility of BH2 X (X=F, Cl, Br, and I) Compounds as Halogen-, Hydrogen-, and Triel-Bond Donors: An Ab Initio Study.

A. Frontera, A. Bauzá, Antonio Bauzá, 2016, Chemphyschem : a European journal of chemical physics and physical chemistry.

π-Hole Interactions Involving Nitro Compounds: Directionality of Nitrate Esters

A. Frontera, A. Bauzá, T. J. Mooibroek, 2016 .

Halide Ion Mediated Aldehyde‐Amine Condensation Leading to Schiff–base and Cyclized Non‐Schiff–base Ligand Complexes of CdII: A Combined Experimental and Theoretical Investigation

C. Massera, D. Das, A. Frontera, 2016 .

Influence of para substituents in controlling photophysical behavior and different non-covalent weak interactions in zinc complexes of a phenol based "end-off" compartmental ligand.

C. Massera, D. Das, A. Frontera, 2015, Dalton transactions.

Phenanthroline-based Ni(II) coordination compounds involving unconventional discrete fumarate-water-nitrate clusters and energetically significant cooperative ternary π-stacked assemblies: Antiproliferative evaluation and theoretical studies

A. Frontera, A. Verma, Pranay Sharma, 2022, Journal of Molecular Structure.

Ambiguous reactivity of Li/Cl phosphinidenoid complexes under redox conditions - a novel dichotomy in phosphorus chemistry.

G. Schnakenburg, A. Frontera, R. Streubel, 2017, Chemical communications.

On the importance of Pb⋯X (X = O, N, S, Br) tetrel bonding interactions in a series of tetra- and hexa-coordinated Pb(II) compounds

A. Frontera, G. Zaragoza, A. Keramidas, 2018 .

The development of a promising photosensitive Schottky barrier diode using a novel Cd(ii) based coordination polymer.

P. Ray, P. Brandão, A. Dey, 2017, Dalton transactions.

π-Hole···dz2[PtII] Interactions with Electron-Deficient Arenes Enhance the Phosphorescence of PtII-Based Luminophores.

A. Frontera, A. Rozhkov, V. Kukushkin, 2020, Inorganic chemistry.

A combined theoretical and CSD perspective on σ-hole interactions with tetrels, pnictogens, chalcogens, halogens, and noble gases

A. Frontera, T. J. Mooibroek, R. Gomila, 2021, Hot Topics in Crystal Engineering.

Chalcogen ‘like-like’ Interactions Involving Trisulphide and Triselenide Compounds: A Combined CSD and Ab Initio Study

A. Frontera, A. Bauzá, Antonio Bauzá, 2018, Molecules.

Using Room Temperature Phosphorescence of Gold(I) Complexes for PAHs Sensing

J. C. Lima, Laura Rodríguez, A. Frontera, 2021, Molecules.

Encapsulation of anions: Macrocyclic receptors based on metal coordination and anion–π interactions

A. Frontera, 2013 .

Tuning the topology of hybrid inorganic–organic materials based on the study of flexible ligands and negative charge of polyoxometalates: A crystal engineering perspective

M. Mirzaei, A. Frontera, H. Eshtiagh-hosseini, 2016 .

On the nature of recurrent Au⋯π motifs in tris(2,2'-bipyridine)M(II) (M = Fe, Co and Ni) dicyanoaurate(I) salts: X-ray analysis and theoretical rationalization.

E. Zangrando, A. Bacchi, A. Frontera, 2021, Dalton transactions.

Noble metals in polyoxometalates

M. Mirzaei, A. Frontera, Morteza Tahmasebi, 2021, Inorganica Chimica Acta.

On the importance of antiparallel C O⋯C–F interactions in N 1 -(3-hydroxypropyl)-5-fluorouracilate–Hg(II) complex: A combined X-ray and DFT study

A. Frontera, A. Bauzá, M. Barceló-Oliver, 2016 .

π‐Hole Interactions Involving Nitro Aromatic Ligands in Protein Structures

A. Frontera, A. Bauzá, T. J. Mooibroek, 2019, Chemistry.

Molecular and crystalline architectures based on HgI2: from metallamacrocycles to coordination polymers

E. Zangrando, A. Frontera, A. Gurbanov, 2017 .

Recent developments in the crystal engineering of diverse coordination modes (0–12) for Keggin-type polyoxometalates in hybrid inorganic–organic architectures

M. Mirzaei, A. Frontera, H. Eshtiagh-hosseini, 2014 .

Exploiting 1,4-naphthoquinone and 3-iodo-1,4-naphthoquinone motifs as anion binding sites by hydrogen or halogen-bonding interactions.

A. Frontera, A. Bauzá, C. Ramírez de Arellano, 2019, Dalton transactions.

Anion–π Interactions in Cyanuric Acids: A Combined Crystallographic and Computational Study

D. Quiñonero, A. Frontera, F. Sa̧czewski, 2005 .

Reconciling Experiment and Theory in the Use of Aryl-Extended Calix[4]pyrrole Receptors for the Experimental Quantification of Chloride–π Interactions in Solution

D. Quiñonero, P. Ballester, A. Frontera, 2015, International journal of molecular sciences.

Applicability of the 1H NMR chemical shifts computed by the ab initio/GIAO-HF methodology to the study of geometrical features of Zn-porphyrin dimers

D. Quiñonero, P. Ballester, A. Frontera, 2004 .

Synergistic Anion-(π) n-π Catalysis on π-Stacked Foldamers.

E. Vauthey, S. Matile, N. Sakai, 2018, Journal of the American Chemical Society.

Polymorphism in secondary squaramides: on the importance of π-interactions involving the four membered ring

A. Frontera, A. Bauzá, M. Font‐Bardia, 2018 .

A combined crystallographic and theoretical study of weak intermolecular interactions in crystalline squaric acid esters and amides

A. Frontera, A. Bauzá, M. Font‐Bardia, 2017 .

Experimental and theoretical study of weak intermolecular interactions in crystalline tertiary squaramides

A. Frontera, A. Bauzá, M. Font‐Bardia, 2016 .

Experimental and Theoretical Study of Aromaticity Effects in the Solid State Architecture on Squaric Acid Derivatives

A. Frontera, A. Bauzá, M. Font‐Bardia, 2014 .

Supramolecular assemblies involving salt bridges: DFT and X-ray evidence of bipolarity

A. Frontera, A. Bauzá, S. Mukhopadhyay, 2020 .

Self-assembly cavitand precisely recognizing hexafluorosilicate: a concerted action of two coordination and twelve CH···F bonds.

H. Krautscheid, A. Mokhir, A. Frontera, 2013, Chemical communications.

Anion-Responsive Fluorescent Supramolecular Gels

J. Steed, A. Frontera, V. Lippolis, 2022, Molecules.

MP2 study of anion–π complexes of trifluoro-s-triazine with tetrahedral and octahedral anions

D. Quiñonero, P. Ballester, A. Frontera, 2007 .

Anion-π Interactions in Supramolecular Chemistry and Catalysis

A. Frontera, P. M. Deyà, A. Bauzá, 2015 .

Lone pair–π vs. σ-hole–π interactions in bromine head-containing oxacalix[2]arene[2]triazines

K. Jurkschat, A. Frontera, A. Bauzá, 2018 .

New metal chelate constructed from Ni(NCS)2 and 1,2-diphenyl-1,2-bis((phenyl(pyridin-2-yl)methylene)hydrazono)ethane

E. Zangrando, A. Frontera, D. Safin, 2020 .

Fluorescent sensing of Al3+ by benzophenone based Schiff base chemosensor and live cell imaging applications: Impact of keto-enol tautomerism

K. Chaudhuri, A. Frontera, Yeasin Sikdar, 2017 .

A highly selective “ON–OFF” probe for colorimetric and fluorometric sensing of Cu2+ in water

A. Frontera, Ritwik Modak, Sanchita Goswami, 2017 .

Through-Space “α-Effect” between the Bridging Oxygen Atoms in Diepoxybenzo[de]isothiochromene Derivatives

A. Frontera, V. Khrustalev, F. Zubkov, 2019, European Journal of Organic Chemistry.

Conformational preferences and self-template macrocyclization of squaramide-based foldable modules.

P. Ballester, A. Frontera, M. Rotger, 2004, The Journal of organic chemistry.

Coordination Behavior of Chelidamic Acid With VV, NiII, FeIII, and CaII: Syntheses, X‐ray Characterization and DFT Studies

M. Shamsipur, M. Mirzaei, A. Frontera, 2016 .

Interconvertible Hydrochlorothiazide–Caffeine Multicomponent Pharmaceutical Materials: A Solvent Issue

J. Gómez-Morales, D. Choquesillo-Lazarte, C. Verdugo-Escamilla, 2020, Crystals.

Semicoordination Bond Breaking and Halogen Bond Making Change the Supramolecular Architecture of Metal-Containing Aggregates

A. Frontera, V. Kukushkin, N. A. Bokach, 2020 .

Experimental and Theoretical Study of Tetrel Bonding and Noncovalent Interactions in Hemidirected Lead(II) Phosphorodithioates: An Implication on Crystal Engineering

A. Frontera, R. Gomila, Pretam Kumar, 2023, Crystal Growth & Design.

Spodium bonds and metal–halogen∙∙∙halogen–metal interactions in propagation of monomeric units to dimeric or polymeric architectures

K. A. Alekseeva, A. Frontera, D. Safin, 2021, Journal of Molecular Structure.

Charge Assisted S/Se Chalcogen Bonds in SAM Riboswitches: A Combined PDB and ab Initio Study

M. N. Piña, A. Frontera, A. Bauzá, 2021, ACS chemical biology.

Spodium Bonds in Biological Systems: Expanding the Role of Zn in Protein Structure and Function

Antonio Bauzá, Antonio Frontera, Himansu S. Biswal, 2021, J. Chem. Inf. Model..

Short X···N Halogen Bonds With Hexamethylenetetraamine as the Acceptor

K. Rissanen, A. Frontera, G. Portalone, 2021, Frontiers in Chemistry.

Spodium Bonds: Noncovalent Interactions Involving Group 12 Elements

J. Elguero, A. Frontera, I. Alkorta, 2020, Angewandte Chemie.

Pnictogen-bonding catalysis: brevetoxin-type polyether cyclizations† †Electronic supplementary information (ESI) available: Detailed procedures and results for all reported experiments. CCDC 1999316–1999326. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/d0sc025

S. Matile, N. Sakai, A. Frontera, 2020, Chemical science.

Spodium bonds: noncovalent interactions involving group 12 of elements.

J. Elguero, A. Frontera, I. Alkorta, 2020, Angewandte Chemie.

Charge assisted halogen and pnictogen bonds: insights from the Cambridge Structural Database and DFT calculations

A. Frontera, R. Gomila, 2020 .

Anion recognition by neutral chalcogen bonding receptors: experimental and theoretical investigation.

A. Frontera, Antonio Caballero, Bartomeu Galmés, 2020, Chemistry.

Computational study of anion recognition based on tetrel and hydrogen bonding interaction by calix[4]pyrrole derivatives

A. Frontera, R. Ramis, A. Bauzá, 2014 .

Primary Anion-π Catalysis and Autocatalysis.

S. Matile, N. Sakai, A. Frontera, 2018, Journal of the American Chemical Society.

pH Dependent Formation of Unprecedented Water–Bromide Cluster in the Bromide Salts of PTP Assisted by Anion−π Interactions: Synthesis, Structure, and DFT Study

A. Frontera, A. Bauzá, S. Mukhopadhyay, 2014 .

Supramolecular nanotubes based on halogen bonding interactions: cooperativity and interaction with small guests.

A. Frontera, A. Bauzá, Antonio Bauzá, 2017, Physical chemistry chemical physics : PCCP.

Anion–π Catalysis Enabled by the Mechanical Bond

A. Frontera, M. Symes, S. Goldup, 2021, Angewandte Chemie.

High-level Ab initio study of anion-pi interactions in pyridine and pyrazine rings coordinated to Ag(I).

D. Quiñonero, A. Frontera, P. M. Deyà, 2008, Chemphyschem : a European journal of chemical physics and physical chemistry.

Novel Polymorphic Cocrystals of the Non-Steroidal Anti-Inflammatory Drug Niflumic Acid: Expanding the Pharmaceutical Landscape

J. Gómez-Morales, D. Choquesillo-Lazarte, A. Frontera, 2021, Pharmaceutics.

Self-assembly of amphiphilic aryl-squaramides in water driven by dipolar π-π interactions.

A. Frontera, Carmen Rotger, Antoni Costa, 2020, Organic & biomolecular chemistry.

Crystallographic and Theoretical Evidence of Anion–π and Hydrogen‐Bonding Interactions in a Squaramide–Nitrate Salt

D. Quiñonero, P. Ballester, A. Frontera, 2008 .

A theoretical study of aromaticity in squaramide and oxocarbons

D. Quiñonero, A. Frontera, P. M. Deyà, 2000 .

Enantiopure bisphosphine ligands with appended crown ether groups as regulation sites for Rh-mediated hydrogenations

A. Frontera, A. Vidal‐Ferran, H. Fernández-Pérez, 2015 .

Substituent effects in cation-π interactions revisited: a general approach based on intrinsic properties of the arenes.

D. Quiñonero, A. Frontera, P. M. Deyà, 2014, Physical chemistry chemical physics : PCCP.

Dual role of silver in a fluorogenic N-squaraine probe based on Ag(I)-π interactions.

E. Garcı́a-España, A. Frontera, S. Blasco, 2021, Dalton transactions.

Ionpair-π interactions favor cell penetration of arginine/tryptophan-rich cell-penetrating peptides.

I. Alves, A. Walrant, S. Sagan, 2020, Biochimica et biophysica acta. Biomembranes.

Ionpair-π interactions favor cell penetration of arginine/tryptophan-rich cell-penetrating peptides

I. Alves, A. Walrant, S. Sagan, 2019, bioRxiv.

Influence of the aromatic surface on the capacity of adsorption of VOCs by magnetite supported organic–inorganic hybrids

M. N. Piña, D. Quiñonero, J. Morey, 2019, RSC advances.

Cation–π and anion–π interactions

D. Quiñonero, A. Frontera, P. M. Deyà, 2011 .

Biological halogen bonds in protein-ligand complexes: a combined QTAIM and NCIPlot study in four representative cases.

A. Frontera, A. Bauzá, Antonio Bauzá, 2021, Organic & biomolecular chemistry.

Spodium bonding and other non-covalent interactions assisted supramolecular aggregation in a new mercury(II) complex of a nicotinohydrazide derivative

E. Zangrando, A. Frontera, M. G. Babashkina, 2021 .

A new spodium bond driven coordination polymer constructed from mercury(ii) azide and 1,2-bis(pyridin-2-ylmethylene)hydrazine

A. Frontera, D. Safin, S. Lawrence, 2020 .

Tetrel Bonding and Other Non-Covalent Interactions Assisted Supramolecular Aggregation in a New Pb(II) Complex of an Isonicotinohydrazide

E. Zangrando, A. Frontera, M. G. Babashkina, 2020, Molecules.

Radicalradical chalcogen bonds: CSD analysis and DFT calculations.

G. Resnati, G. Terraneo, A. Frontera, 2020, Physical chemistry chemical physics : PCCP.

Theoretical ab Initio Study on Cooperativity Effects between Nitro π-hole and Halogen Bonding Interactions.

A. Frontera, A. Franconetti, Bartomeu Galmés, 2019, Chemphyschem : a European journal of chemical physics and physical chemistry.

Theoretical and Crystallographic Study of Lead(IV) Tetrel Bonding Interactions.

A. Frontera, A. Franconetti, 2019, Chemistry.

On the Importance of Nonbonding Donor-Acceptor Interactions Involving PO2. Radicals: An ab Initio Study.

A. Frontera, A. Bauzá, Antonio Bauzá, 2017, Chemphyschem : a European journal of chemical physics and physical chemistry.

Importance of R-CF3···O Tetrel Bonding Interactions in Biological Systems.

Antonio Bauzá, Antonio Frontera, A. Frontera, 2017, The journal of physical chemistry. A.

A combined theoretical and Cambridge Structural Database study of π-hole pnicogen bonding complexes between electron rich molecules and both nitro compounds and inorganic bromides (YO2Br, Y = N, P, and As).

Rafael Ramis, Antonio Bauzá, Antonio Frontera, 2014, The journal of physical chemistry. A.

On the Reliability of Pure and Hybrid DFT Methods for the Evaluation of Halogen, Chalcogen, and Pnicogen Bonds Involving Anionic and Neutral Electron Donors.

José Elguero, Ibon Alkorta, Antonio Frontera, 2013, Journal of chemical theory and computation.

Is the use of diffuse functions essential for the properly description of noncovalent interactions involving anions?

D. Quiñonero, A. Frontera, P. M. Deyà, 2013, The journal of physical chemistry. A.

Synthesis, X-ray Characterization and Density Functional Theory (DFT) Studies of Two Polymorphs of the α,α,α,α, Isomer of Tetra-p-Iodophenyl Tetramethyl Calix[4]pyrrole: On the Importance of Halogen Bonds

P. Ballester, A. Frontera, J. Ortega-Castro, 2020, Molecules.

Controlled scrambling reactions to polyphosphanes via bond metathesis reactions

K. Schwedtmann, J. Weigand, A. Frontera, 2019, Chemical science.

Mononuclear and dinuclear trimethylplatinum(IV) iodide complexes of 3-substituted pyridines

S. Schlecht, A. Frontera, A. Bauzá, 2017 .

Multicomponent Solids of DL-2-Hydroxy-2-phenylacetic Acid and Pyridinecarboxamides

A. Frontera, A. Castiñeiras, I. García-Santos, 2022, Crystals.

On the importance of anion-π interactions in the mechanism of sulfide:quinone oxidoreductase.

D. Quiñonero, A. Frontera, P. M. Deyà, 2013, Chemistry, an Asian journal.

Nitropyridine-1-Oxides as Excellent π-Hole Donors: Interplay between σ-Hole (Halogen, Hydrogen, Triel, and Coordination Bonds) and π-Hole Interactions

A. Frontera, A. Franconetti, Bartomeu Galmés, 2019, International journal of molecular sciences.

Seven and eight-coordinate Fe(III) complexes containing pre-organized ligand 1,10-phenanthroline-2,9-dicarboxylic acid: Solvent effects, supramolecular interactions and DFT calculations

E. Molins, M. Mirzaei, Mahdi Niknam Shahrak, 2019, Inorganica Chimica Acta.

Molecular 1,1'-bifunctional mixed-valence P-P compounds, enabled through metal complexation.

G. Schnakenburg, A. Frontera, R. Streubel, 2021, Dalton transactions.

Influence of accompanying anions on supramolecular assembly and coordination geometry in HgII complexes with 8-aminoquinoline: experimental and theoretical studies

M. Mirzaei, A. Frontera, M. Chahkandi, 2013 .

Anion-dependent structural diversity of cadmium(II) complexes: synthesis, crystal structures, luminescence properties, and unusual C-H/σ supramolecular interactions involving σ-aromatic M2X2 cores

Saikat Banerjee, P. Brandão, A. Saha, 2016 .

Long-range effects in anion-π interactions: their crucial role in the inhibition mechanism of Mycobacterium tuberculosis malate synthase.

D. Quiñonero, A. Frontera, P. M. Deyà, 2014, Chemistry.

Anion–π interactions in [S4N3]+ rings

D. Quiñonero, A. Frontera, P. M. Deyà, 2013 .

On the importance of unprecedented lone pair-salt bridge interactions in Cu(II)-malonate-2-amino-5-chloropyridine-perchlorate ternary system.

A. Frontera, Amrita Das, M. Helliwell, 2013, The journal of physical chemistry. A.

Counterintuitive interaction of anions with benzene derivatives

D. Quiñonero, A. Frontera, Antoni Costa, 2002 .

Solid-state inclusion of C60 and C70 in a co-polymer induced by metal–ligand coordination of a Zn–porphyrin cage with a bis-pyridyl perylene derivative

P. Ballester, F. Würthner, A. Frontera, 2017 .

Naphthalenediimides with Cyclic Oligochalcogenides in Their Core.

E. Vauthey, S. Matile, N. Sakai, 2020, Chemistry.

Anion−π Interactions in Hollow Crystals of a Copper(II)-Cyamelurate Coordination Complex

J. Pasán, C. Ruiz-Pérez, A. Frontera, 2018 .

2-Aminopyrimidine Derivatives Exhibiting Anion-π Interactions: A Combined Crystallographic and Theoretical Study

D. Quiñonero, E. Molins, C. Estarellas, 2009 .

Supramolecular architectures of Mn(NCS)2 complexes with N'-(1-(pyridin-4-yl)ethylidene)picolinohydrazide and N'-(phenyl(pyridin-4-yl)methylene)isonicotinohydrazide

D. Choquesillo-Lazarte, A. Frontera, E. Alexandrov, 2020 .

Solvent-controlled construction of manganese(II) complexes with 4-acetylpyridine nicotinoylhydrazone ligand

Amy L. Pochodylo, R. Laduca, A. Frontera, 2015 .

Interplay Between Cation–π, Anion–π and π–π Interactions

D. Quiñonero, P. Ballester, A. Frontera, 2006 .

Weak C-H/pi interaction participates in the diastereoselectivity of a host-guest complex in the presence of six strong hydrogen bonds.

D. Quiñonero, P. Ballester, A. Frontera, 2003, Organic letters.

Nickel(II) complexes based on dithiolate-polyamine binary ligand systems: crystal structures, hirshfeld surface analysis, theoretical study, and catalytic activity study on photocatalytic hydrogen generation.

S. Adhikari, A. Frontera, C. Daniliuc, 2021, Dalton transactions.

1,2,4,5-tetrazine: an unprecedented micro4-coordination that enhances ability for anion pi interactions.

H. Krautscheid, I. A. Gural'skiy, A. Frontera, 2009, Dalton transactions.

A theoretical study of anion-pi interactions in seven-membered rings.

D. Quiñonero, P. Ballester, A. Frontera, 2007, Chemphyschem : a European journal of chemical physics and physical chemistry.

Self-assembly of [2]rotaxane exploiting reversible Pt(II)- pyridine coordinate bonds.

P. Ballester, A. Frontera, Antoni Costa, 2004, Molecules.

Anion-π stacks of Lindqvist superoctahedra [Mo6O19]2− supported by caffeinium and theophyllinium cations

A. Frontera, A. Shtemenko, Bartomeu Galmés, 2022, Inorganica Chimica Acta.

Intramolecular Noncovalent Carbon Bonding Interaction Stabilizes the cis Conformation in Acylhydrazones.

A. Frontera, M. Hussain, A. Bauzá, 2018, ChemPlusChem.

Understanding the forces that govern packing: a density functional theory and structural investigation of anion-π-anion and nonclassical C-H···anion interactions.

A. Frontera, S. Brooker, P. M. Deyà, 2012, Inorganic chemistry.

Theoretical ab initio study of substituted benzene trimer: Interplay between hydrogen bonding and π–π interactions

D. Quiñonero, C. Estarellas, A. Frontera, 2011 .

Anion-π Interactions in Molecular Recognition

A. Frontera, P. M. Deyà, David Qui˜nonero, 2011 .

Adenine as a Halogen Bond Acceptor: A Combined Experimental and DFT Study

E. Molins, A. Frontera, M. Barceló-Oliver, 2019, Crystals.

Quantifying conventional C–H⋯π(aryl) and unconventional C–H⋯π(chelate) interactions in dinuclear Cu(II) complexes: experimental observations, Hirshfeld surface and theoretical DFT study

A. Frontera, Haridas Mandal, A. Bauzá, 2018 .

Pb⋯X (X = N, S, I) tetrel bonding interactions in Pb(II) complexes: X-ray characterization, Hirshfeld surfaces and DFT calculations

J. White, A. Frontera, F. Zubkov, 2018 .

Regium-π bonds: An Unexplored Link between Noble Metal Nanoparticles and Aromatic Surfaces.

A. Frontera, A. Bauzá, Antonio Bauzá, 2018, Chemistry.

Structure guided or structure guiding? Mixed carbon/hydrogen bonding in a bis-Schiff base of N-allyl isatin

A. Frontera, M. Hussain, A. Bauzá, 2018 .

Screening polymorphism in a Ni(II) metal–organic framework: experimental observations, Hirshfeld surface analyses and DFT studies

A. Frontera, A. Bauzá, S. Seth, 2017 .

Role of Imidazole Co–Ligand in the Supramolecular Network of a Co(II) Complex with Sulfadiazine: Crystal Structure, Hirshfeld Surface Analysis and Energetic Calculations

A. Frontera, Diego M. Gil, G. Echeverría, 2020 .

Experimental and Computational Study of Counterintuitive ClO4–···ClO4– Interactions and the Interplay between π+–π and Anion···π+ Interactions

A. Frontera, A. Bauzá, S. Mukhopadhyay, 2014 .

Substituent effects in π-hole regium bonding interactions between Au(p-X-Py)2 complexes and Lewis bases: an ab initio study.

M. N. Piña, A. Frontera, A. Bauzá, 2022, Chemphyschem : a European journal of chemical physics and physical chemistry.

On the importance of tetrel bonding interactions in lead(ii) complexes with (iso)nicotinohydrazide based ligands and several anions.

J. Mague, E. Molins, A. Frontera, 2016, Dalton transactions.

Design of Lead(II) Metal-Organic Frameworks Based on Covalent and Tetrel Bonding.

S. Ng,, A. Frontera, A. Bauzá, 2015, Chemistry.

The role of unconventional stacking interactions in the supramolecular assemblies of Hg(II) coordination compounds

A. Frontera, F. Zubkov, A. Gurbanov, 2016 .

Supramolecular network of a framework material supported by the anion-π linkage of Keggin-type heteropolyoxotungstates: experimental and theoretical insights.

J. Mague, M. Mirzaei, A. Frontera, 2021, Dalton transactions.

Synthesis, Structural Topologies and Anticancer Evaluation of Phenanthroline-based 2,6-Pyridinedicarboxylato Cu(II) and Ni(II) Compounds

A. Frontera, A. Verma, B. Sarma, 2021, Polyhedron.

On metal coordination of neutral open-shell P-ligands focusing on phosphanoxyls, their electron residence and reactivity.

A. Frontera, R. Streubel, Philipp C Brehm, 2022, Chemical communications.

9-Ethyladenine: Mechanochemical Synthesis, Characterization, and DFT Calculations of Novel Cocrystals and Salts

E. Molins, A. Frontera, M. Barceló-Oliver, 2020 .

An experimental and computational investigations of supramolecular anion–π/π–π/π–anion assemblies in mononuclear Zn(II) complexes with a versatile tetradentate N-donor Schiff base ligand

Saikat Banerjee, M. Roy, A. Saha, 2015 .

Selective functionalisation of aromatic alcohols with supramolecularly regulated gold(i) catalysts

A. Frontera, A. Franconetti, A. Vidal‐Ferran, 2020 .

One-Pot Route to X-perfluoroarenes (X = Br, I) Based on FeIII-Assisted C–F Functionalization and Utilization of These Arenes as Building Blocks for Crystal Engineering Involving Halogen Bonding

A. A. Eliseeva, A. Frontera, A. Rozhkov, 2020, Crystal Growth & Design.

Structural basis for molecular recognition, theoretical studies and anti-bacterial properties of three bis-uracil derivatives

Subhadip Roy, A. Frontera, Subrata Das, 2014 .

Intramolecular π–hole interactions with nitro aromatics

A. Frontera, A. Franconetti, T. J. Mooibroek, 2019, CrystEngComm.

Supramolecular architecture constructed from the hemidirected lead(II) complex with N'-(4-hydroxybenzylidene)isonicotinohydrazide

E. Zangrando, Arunava Gupta, A. Frontera, 2020 .

Modulation of coordination in pincer-type isonicotinohydrazone Schiff base ligands by proton transfer

A. Frontera, F. Zubkov, A. Gurbanov, 2019, CrystEngComm.

Synthesis, X-ray characterization, DFT calculations and Hirshfeld surface analysis of Zn(II) and Cd(II) complexes based on isonicotinoylhydrazone ligand

S. García‐Granda, E. Zangrando, J. White, 2016 .

Ligand structure-driven self-assembly of Zn(NCS)2 with a carbohydrazone ligand: A possible intermediate towards a [2 × 2] metallic grid

E. Zangrando, A. Frontera, D. Safin, 2021 .

Synthesis, X-ray characterization, DFT calculations and Hirshfeld surface analysis studies of carbohydrazone based on Zn(II) complexes

W. Kaminsky, A. Frontera, A. Bauzá, 2016 .

Biological promiscuity of a binuclear Cu(ii) complex of aminoguanidine Schiff base: DNA binding, anticancer activity and histidine sensing ability of the complex

A. Frontera, Krishna Das Saha, S. Chattopadhyay, 2020 .

Joining of trinuclear (CuL)2M (M = MnII and CdII) nodes by 1,3- and 1,4-benzenedicarboxylate linkers: positional isomeric effect on co-crystallization

S. Jana, A. Frontera, A. Bauzá, 2018 .

Two Zinc(II)-Based Metal Complexes of New Pyrimidine Derived Ligand: Anion-Dependent Structural Variations and Charge Transport Property Analysis

P. Ray, A. Dey, A. Frontera, 2018 .

Syntheses, crystal structures and density functional theory investigations of copper(II) complexes bearing tridentate Schiff base ligands derived from 8-aminoquinoline

M. Drew, A. Frontera, S. Chattopadhyay, 2015 .

Diethylaminophenyl-based Schiff base Cu(ii) and V(iv) complexes: experimental and theoretical studies and cytotoxicity assays

A. Frontera, A. L. Di Virgilio, I. León, 2019, New Journal of Chemistry.

Supramolecular association involving antiparallel CO⋯CO and anion–π contacts in Co(II) and Mn(II) complexes involving 2,5-pyridinedicarboxylate: Anticancer evaluation and theoretical studies

A. Frontera, A. Verma, Pranay Sharma, 2019 .

Solid-state supramolecular architectures of a series of Hg(ii) halide coordination compounds based on hydroxyl-substituted Schiff base ligands

A. Frontera, M. Senge, Keith J. Flanagan, 2019, CrystEngComm.

Irradiation Specified Conformational Change in a Small Organic Compound and Its Effect on Electrical Properties

P. Roy, P. Ray, A. Dey, 2016 .

Solvent dependent nuclearity of manganese complexes with a polydentate hydrazone-based ligand and thiocyanate anions

W. Kaminsky, E. Zangrando, A. Frontera, 2017 .

Synthesis, X-ray Characterization and DFT study of a novel Fe(III)–Pyridine-2,6-Dicarboxylic Acid N-oxide Complex with Unusual Coordination Mode

J. Mague, M. Mirzaei, A. Frontera, 2016 .

Synthesis and structure of 1,3-dimethyl-5-(p-sulfonamide-phenylazo)-6-aminouracil and its Ni(II) complex: Topological insights and investigation for noncovalent interactions

Subhadip Roy, Rakesh Ganguly, A. Frontera, 2017 .

Crystal structures of N6-modified-amino acid nucleobase analogs(iii): adenine–valeric acid, adenine–hexanoic acid and adenine–gabapentine

A. Frontera, M. Barceló-Oliver, A. García-Raso, 2020 .

Importance of Anion−π Interactions in RNA GAAA and GGAG Tetraloops: A Combined MD and QM Study

M. N. Piña, A. Frontera, A. Bauzá, 2021, Journal of chemical theory and computation.

o-Tolidine: A new reagent for a simple nephelometric determination of anionic surfactants

J. March, M. Gual, A. Frontera, 2005 .

A first exploration of isostructurality in transition metal nitroprussides: X-ray analysis, magnetic properties and DFT calculations

A. Frontera, J. Rodríguez‐Hernández, M. González M, 2020 .

Structural characterization, recognition patterns and theoretical calculations of long-chain N-alkyl substituted purine and pyrimidine bases as ligands: On the importance of anion–π interactions

A. Frontera, M. Barceló-Oliver, A. García-Raso, 2013 .

Hydrogen Bond, π–π, and CH–π Interactions Governing the Supramolecular Assembly of Some Hydrazone Ligands and Their MnII Complexes – Structural and Theoretical Interpretation

S. Mitra, A. Frontera, G. Pilet, 2015 .

Experimental and theoretical study of N1-hexylcytosine and N1-hexylcytosinium nitrate: the crucial role of hydrophobic and anion–π interactions

E. Molins, A. Frontera, A. Bauzá, 2013 .

A combined experimental and theoretical study of covalent vs noncovalent dimer formation in vanadium(V) complexes with Schiff base ligands

A. Frontera, S. Chattopadhyay, R. Gomila, 2023, Polyhedron.

closo-Carboranes as dual CHπ and BHπ donors: theoretical study and biological significance.

A. Frontera, A. Bauzá, Antonio Bauzá, 2019, Physical chemistry chemical physics : PCCP.

Synthesis, reactivity, X-ray characterization and docking studies of N7/N9-(2-pyrimidyl)-adenine derivatives.

E. Molins, A. Frontera, J. Ortega-Castro, 2020, Journal of inorganic biochemistry.

Fluorescent Lipid Nanoparticles as Biomembrane Models for Exploring Emerging Contaminant Bioavailability Supported by Density Functional Theory Calculations.

A. Frontera, M. Miró, A. Bauzá, 2016, Environmental science & technology.

Cation-π versus anion-π interactions: a comparative ab initio study based on energetic, electron charge density and aromatic features

D. Quiñonero, A. Frontera, Antoni Costa, 2004 .

Novel Cd (II) Coordination Polymers Afforded with EDTA or Trans-1,2-Cdta Chelators and Imidazole, Adenine, or 9-(2-Hydroxyethyl) Adenine Coligands

M. E. García-Rubiño, A. Frontera, A. Castiñeiras, 2020, Crystals.

Molecular and supramolecular recognition patterns in ternary copper(II) or zinc(II) complexes with selected rigid-planar chelators and a synthetic adenine-nucleoside.

M. E. García-Rubiño, D. Choquesillo-Lazarte, A. Frontera, 2019, Journal of inorganic biochemistry.

X-ray Crystal Structure of a Metalled Double-Helix Generated by Infinite and Consecutive C*-AgI -C* (C*:N1 -Hexylcytosine) Base Pairs through Argentophilic and Hydrogen Bond Interactions.

E. Molins, A. Frontera, A. Bauzá, 2017, Chemistry.

Unconventional π-hole and Semi-coordination regium bonding interactions directed supramolecular assemblies in pyridinedicarboxylato bridged polymeric Cu(II) Compounds: Antiproliferative evaluation and theoretical studies

A. Frontera, A. Verma, Pranay Sharma, 2021 .

RCH3···O Interactions in Biological Systems: Are They Trifurcated H-Bonds or Noncovalent Carbon Bonds?

A. Frontera, A. Bauzá, Antonio Bauzá, 2016 .

Non-covalent sp(3) carbon bonding with ArCF3 is analogous to CH-π interactions.

A. Frontera, A. Bauzá, T. J. Mooibroek, 2014, Chemical communications.

On the relationship between ring strain energies and ‘atoms-in-molecules’ properties in N2P2 rings

A. Frontera, R. Streubel, A. Bauzá, 2014 .

Estimating ring strain energies in small carbocycles by means of the Bader's theory of 'atoms-in-molecules'

D. Quiñonero, A. Frontera, P. M. Deyà, 2012 .

Unexpected nonadditivity effects in anion-π complexes.

D. Quiñonero, C. Estarellas, A. Frontera, 2011, The journal of physical chemistry. A.

On the directionality of anion-π interactions.

D. Quiñonero, C. Estarellas, A. Frontera, 2011, Physical chemistry chemical physics : PCCP.

Theoretical and Crystallographic Study of the Dual σ/π Anion Binding Affinity of Quinolizinylium Cation.

D. Quiñonero, C. Estarellas, A. Frontera, 2008, Journal of chemical theory and computation.

Synthesis, X-ray structure analysis and computational studies of novel bis(thiocarbamoyl) disulfides with non-covalent S···N and S···S interactions

D. Quiñonero, A. Frontera, F. Sa̧czewski, 2006 .

Favipiravir: insight into the crystal structure, Hirshfeld surface analysis and computational study

A. Frontera, M. G. Babashkina, D. Safin, 2021, Journal of the Iranian Chemical Society.

Rational Coformer Selection in the Development of 6-Propyl-2-thiouracil Pharmaceutical Cocrystals

J. Gómez-Morales, Jesús Martín, D. Choquesillo-Lazarte, 2023, Pharmaceuticals.

Sildenafil–Resorcinol Cocrystal: XRPD Structure and DFT Calculations

A. Frontera, Rafael Barbas, Rafel Prohens, 2020 .

Bifurcated μ2-I···(N,O) Halogen Bonding: The Case of (Nitrosoguanidinate)NiII Cocrystals with Iodine(I)-Based σ-Hole Donors

A. A. Eliseeva, A. Frontera, V. Kukushkin, 2020 .

The crucial role of chelate-chelate stacking interactions in the crystal structure of a square planar copper(II) complex

S. Jana, A. Frontera, S. Chattopadhyay, 2017 .

Pnicogen-π complexes: theoretical study and biological implications.

David Quiñonero, Antonio Bauzá, Antonio Frontera, 2012, Physical chemistry chemical physics : PCCP.

Ultrashort Hδ+Hδ- intermolecular distance in a supramolecular system in the solid state.

A. García-Márquez, A. Frontera, Rafael Gramage‐Doria, 2021, Chemical communications.

Benzothienoiodolium Cations Doubly Bonded to Anions via Halogen–Chalcogen and Halogen–Hydrogen Supramolecular Synthons

G. Resnati, A. Frontera, P. Tolstoy, 2023, Crystal Growth & Design.

A Comprehensive Ab Initio Study of Halogenated A···U and G···C Base Pair Geometries and Energies

A. Frontera, A. Bauzá, R. Gomila, 2023, International journal of molecular sciences.

Halogen bonds in Protein-Nucleic Acid recognition.

A. Frontera, A. Bauzá, 2020, Journal of chemical theory and computation.

Quantifying intramolecular Halogen Bonds in Nucleic Acids: A combined PDB and theoretical study.

A. Frontera, A. Bauzá, M. Piña, 2020, ACS chemical biology.

Anion-pi Interactions: do they exist?

D. Quiñonero, P. Ballester, A. Frontera, 2002, Angewandte Chemie.

Electronic structure of N₂P₂ four-membered rings.

A. Frontera, D. Escudero, R. Streubel, 2014, Chemphyschem : a European journal of chemical physics and physical chemistry.

Counterintuitive substituent effect of the ethynyl group in ion-pi interactions.

D. Quiñonero, A. Frontera, X. Lucas, 2009, The journal of physical chemistry. A.

Adsorption and Quantification of Volatile Organic Compounds (VOCs) by using Hybrid Magnetic Nanoparticles.

D. Quiñonero, J. Morey, A. Frontera, 2018, Chemistry.

Influence of 2-Amino-4-methylpyridine and 2-Aminopyrimidine Ligands on the Malonic Acid-Cu(II) System: Insights through Supramolecular Interactions and Photoresponse Properties

P. Ray, A. Dey, A. Frontera, 2019, ACS omega.

Energetic features of antiparallel stacking and hydrogen bonding interactions in two coordination complexes bearing 1,10-phenanthroline-2,9-dicarboxylic acid

J. Mague, M. Mirzaei, B. Notash, 2021, Journal of Molecular Structure.

Synthesis, structure and DFT study of a chelidamic acid based Cu coordination polymer: On the importance of π–π interactions and hexameric water clusters

M. Mirzaei, B. Notash, A. Frontera, 2015 .

Cooperativity Effects in a New Pterostilbene/Phenanthroline Cocrystal

A. Frontera, Rafael Barbas, Rafel Prohens, 2023, SSRN Electronic Journal.

Molecular Recognition of Carbohydrates: Interaction of Diols with Acetate Ion

W. L. Jorgensen, W. Damm, A. Frontera, 1996 .

Halogen bonding effects on the outcome of reactions at metal centres.

A. Frontera, P. V. van Leeuwen, J. Benet‐Buchholz, 2019, Chemical communications.

New 1,8-naphthyridine-based probes for the selective fluorescence signalling of toxic cadmium: synthesis, photophysical studies and molecular modelling

D. Quiñonero, A. Frontera, S. Mashraqui, 2010 .

Regium-π vs Cation-π Interactions in M2 and MCl (M = Cu, Ag and Au) Complexes with Small Aromatic Systems: An ab Initio Study

A. Frontera, A. Bauzá, Antonio Bauzá, 2018, Inorganics.

Unexpected chalcogen bonds in tetravalent sulfur compounds.

D. Quiñonero, G. Resnati, A. Frontera, 2019, Physical chemistry chemical physics : PCCP.

Feasibility of Single-Walled Carbon Nanotubes as Materials for CO2 Adsorption: A DFT Study

D. Quiñonero, A. Frontera, P. M. Deyà, 2012 .

Anion-π interactions involving [MX(n)](m-) anions: a comprehensive theoretical study.

D. Quiñonero, C. Estarellas, A. Frontera, 2013, Chemphyschem : a European journal of chemical physics and physical chemistry.

Polymorphism in the 1/1 Pterostilbene/Picolinic Acid Cocrystal

A. Frontera, M. Font‐Bardia, Rafael Barbas, 2021, Crystal growth & design.

DFT prediction of band gap in organic-inorganic metal halide perovskites: An exchange-correlation functional benchmark study

Yaroslav B. Martynov, Joaquín Ortega-Castro, Antonio Frontera, 2019, Chemical Physics.

π–hole interactions at work: crystal engineering with nitro-derivatives

A. Frontera, A. Bauzá, E. Rusanov, 2017 .

Influence of ring size on the strength of carbon bonding complexes between anions and perfluorocycloalkanes.

A. Frontera, A. Bauzá, T. J. Mooibroek, 2014, Physical chemistry chemical physics : PCCP.

A supramolecular 3D structure constructed from a new metal chelate self-assembled from Sn(NCS)2 and phenyl(pyridin-2-yl)methylenepicolinohydrazide

W. Kaminsky, E. Zangrando, A. Frontera, 2021 .

Crystal engineering with pyrazolyl-thiazole derivatives: structure-directing role of π-stacking and σ-hole interactions

A. Frontera, M. Tahir, S. Hameed, 2021, CrystEngComm.

Engineering Crystals Using sp3‐C Centred Tetrel Bonding Interactions

A. Frontera, Jarl Ivar Vlugt, T. J. Mooibroek, 2020, Chemistry.

New chloride-dimethylsulfoxide-iridium(III) complex with histaminium

E. Molins, A. Frontera, A. Bauzá, 2015 .

Double group-transfer reactions: a theoretical (AM1) approach

A. Frontera, P. M. Deyà, Guillem A. Suñer, 1992 .

Intermolecular interactions in antipyrine-like derivatives 2-halo-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)benzamides: X-ray structure, Hirshfeld surface analysis and DFT calculations

H. El‐Seedi, U. Flörke, A. Saeed, 2020 .

Interaction of positively and negatively charged aromatic hydrocarbons with benzene and triphenylene: Towards a model of pure organic insulators

D. Quiñonero, J. Elguero, A. Frontera, 2008 .

Ligand and Gold(I) Fluorescein–AIEgens as Photosensitizers in Solution and Doped Polymers

A. Frontera, Laura Rodríguez, R. Gomila, 2023, Inorganic chemistry.

Geminal Charge-Assisted Tetrel Bonds in Bis-Pyridinium Methylene Salts

G. Resnati, N. Demitri, A. Frontera, 2023, Crystal growth & design.

A theoretical ab initio study of [n.n]paracyclophane complexes with cations

D. Quiñonero, P. Ballester, A. Frontera, 2006 .

Counterintuitive affinity of [2.2]paracyclophane to cations

D. Quiñonero, A. Frontera, F. Pichierri, 2005 .

Square Planar Pt(II) Ion as Electron Donor in Pnictogen Bonding Interactions

A. Frontera, A. Bauzá, R. Gomila, 2023, Inorganics.

The roles of H-bonding, π-stacking, and antiparallel CO⋯CO interactions in the formation of a new Gd(III) coordination polymer based on pyridine-2,6-dicarboxylic acid

J. Mague, M. Mirzaei, A. Frontera, 2017 .

A late appearing polymorph of nutraceutical pterostilbene

A. Frontera, Rafael Barbas, Rafel Prohens, 2020 .

Molecular Electrostatic Potential and Noncovalent Interactions in Derivatives of Group 8 Elements

G. Resnati, G. Terraneo, A. Frontera, 2021, Angewandte Chemie.

Anion–Cation Recognition Pattern, Thermal Stability and DFT-Calculations in the Crystal Structure of H2dap[Cd(HEDTA)(H2O)] Salt (H2dap = H2(N3,N7)-2,6-Diaminopurinium Cation)

A. Frontera, A. Castiñeiras, J. Niclós-Gutiérrez, 2020, Crystals.

Two Polymorphic Forms of a Six-Coordinate Mononuclear Cobalt(II) Complex with Easy-Plane Anisotropy: Structural Features, Theoretical Calculations, and Field-Induced Slow Relaxation of the Magnetization.

M. Drew, Subhadip Roy, A. Kirillov, 2016, Inorganic chemistry.

Cooperative Ternary Assemblies Involving Anion–π/π–π/Anion–π Assemblies and Unconventional Cl⋯Cl Interactions in Cu(II) Coordination Compounds: Experimental and Theoretical Studies

A. Frontera, M. Barceló-Oliver, R. Gomila, 2023, Crystals.

X-ray characterization, Hirshfeld surface analysis, DFT calculations, in vitro and in silico lipoxygenase inhibition (LOX) studies of dichlorophenyl substituted 3-hydroxy-chromenones

A. Frontera, M. Tahir, Mahmoud A. A. Ibrahim, 2021, New Journal of Chemistry.

Regium−π Bonds Involving Nucleobases: Theoretical Study and Biological Implications

A. Frontera, A. Bauzá, Sergi Burguera, 2023, Inorganic chemistry.

Metalloid Chalcogen–pnictogen σ-hole bonding competition in stibanyl telluranes

A. Frontera, R. Gomila, 2021, Journal of Organometallic Chemistry.

Anion-π interactions in five-membered rings: a combined crystallographic and ab initio study

D. Quiñonero, A. Frontera, Antoni Costa, 2003 .

Structural Topologies involving Energetically Significant antiparallel π-stacking and Unconventional N(nitrile)∙∙∙π(fumarate) Contacts in Dinuclear Zn(II) and Polymeric Mn(II) Compounds: Antiproliferative Evaluation and Theoretical Studies

A. Frontera, A. Verma, Pranay Sharma, 2022, New Journal of Chemistry.

Cooperativity in multiple unusual weak bonds

D. Quiñonero, J. Elguero, C. Estarellas, 2010 .

Theoretical ab initio study of the interplay between hydrogen bonding, cation–π and π–π interactions

D. Quiñonero, C. Estarellas, A. Frontera, 2009 .

MP2 study of cooperative effects between cation??, anion?? and ??? interactions

D. Quiñonero, P. Ballester, A. Frontera, 2007 .

Experimental observation and theoretical investigation of a novel Cd(II) complex with π-hole interactions involving nitro groups

M. Drew, Subhadip Roy, B. Sridhar, 2015 .

Nature of noncovalent carbon-bonding interactions derived from experimental charge-density analysis.

P. Ballester, A. Frontera, Eduardo C. Escudero‐Adán, 2015, Chemphyschem : a European journal of chemical physics and physical chemistry.

A thorough anion–π interaction study in biomolecules: on the importance of cooperativity effects† †Electronic supplementary information (ESI) available: Fig. 1 and 2, Tables 1–24 and all interactions. See DOI: 10.1039/c5sc01386k

D. Quiñonero, A. Frontera, X. Lucas, 2015, Chemical science.

Iodine(i) complexes incorporating sterically bulky 2-substituted pyridines

K. Rissanen, A. Frontera, J. Ward, 2022, RSC advances.

Anion-dependent structural variations and charge transport property analysis of 4′-(3-pyridyl)-4,2′:6′,4′′-terpyridinium salts

P. Ray, A. Dey, A. Frontera, 2021 .

The role of the ethynyl substituent on the π-π stacking affinity of benzene: a theoretical study.

D. Quiñonero, A. Frontera, X. Lucas, 2011, Chemphyschem : a European journal of chemical physics and physical chemistry.

Structure and binding energy of anion-pi and cation-pi complexes: a comparison of MP2, RI-MP2, DFT, and DF-DFT methods.

David Quiñonero, Antonio Frontera, Antoni Costa, 2005, The journal of physical chemistry. A.

Insights into Synthesis, Crystal Structure, Bioactivity and Computational Studies of Cu(II) and Zn(II) Carboxylates Containing Aminopyridine

D. Maiti, A. Frontera, W. Maniukiewicz, 2023, ChemistrySelect.

Uracil Derivatives for Halogen-Bonded Cocrystals

E. Molins, A. Frontera, M. Barceló-Oliver, 2021, International journal of molecular sciences.

Insight into the role of pseudo-halides as multiple hydrogen bond acceptors in the formation of supramolecular 1D assembly of di and trinuclear zinc complexes

A. Frontera, S. Chattopadhyay, Mainak Karmakar, 2023, Inorganica Chimica Acta.

On the Importance of H-Bonding Interactions in the Enclathration of Boric Acids in Na(I) Polymers: Experimental and Theoretical Studies

A. Frontera, M. Barceló-Oliver, R. Gomila, 2023, Crystals.

Structure Guiding Supramolecular Assemblies in Metal-Organic Multi-Component Compounds of Mn(II): Experimental and Theoretical Studies

A. Frontera, Pranay Sharma, M. Barceló-Oliver, 2023, Crystals.

Noncovalent Chelation by Halogen Bonding in the Design of Metal-Containing Arrays: Assembly of Double σ-Hole Donating Halolium with CuI-Containing O,O-Donors.

A. Frontera, V. Boyarskiy, P. Postnikov, 2023, Inorganic chemistry.

The Origin of Anion−π Autocatalysis

S. Matile, A. Frontera, M. A. Gutiérrez López, 2023, JACS Au.

Cocrystallization of Antifungal Compounds Mediated by Halogen Bonding

E. Molins, A. Frontera, M. Benito, 2023, Crystal growth & design.

Unconventional Dual Donor-Acceptor Topologies of Aromatic Rings in Amine-Based Polymeric Tetrahedral Zn(II) Compounds Involving Unusual Non-Covalent Contacts: Antiproliferative Evaluation and Theoretical Studies

D. Dutta, A. Frontera, A. Verma, 2023, Crystals.

Se⋯π Chalcogen Bonding in 1, 2, 4-Selenodiazolium Tetraphenylborate Complexes

A. Frontera, V. Khrustalev, A. Chizhov, 2023, Symmetry.

Helical coordination complex of Hg(ClO4)2 with bulky hydrazone derivative: a Möbius-like discrete metal chelate

J. White, A. Frontera, D. Safin, 2023, Inorganic Chemistry Communications.

On the Importance of Halogen Bonding Interactions in Two X-ray Structures Containing All Four (F, Cl, Br, I) Halogen Atoms

A. Frontera, F. Zubkov, M. Grigoriev, 2021, Crystals.

Selenium chalcogen bonds are involved in protein-carbohydrate recognition: a combined PDB and theoretical study.

A. Frontera, A. Bauzá, Jose A Fernández Riveras, 2021, Physical chemistry chemical physics : PCCP.

Weak Interactions in Cocrystals of Isoniazid with Glycolic and Mandelic Acids

A. Frontera, A. Castiñeiras, I. García-Santos, 2021, Crystals.

Interplay between ion–π and Ar/π Van der Waals interactions

D. Quiñonero, A. Frontera, P. M. Deyà, 2012 .

Salt-bridge–π (sb–π) interactions at work: associative interactions of sb–π, π–π and anion–π in Cu(II)-malonate–2-aminopyridine–hexafluoridophosphate ternary system

A. Frontera, Amrita Das, M. Helliwell, 2013 .

Tuning of the anion–π interaction

D. Quiñonero, A. Frontera, P. M. Deyà, 2012, Theoretical Chemistry Accounts.

Radical cation (C˙(+)-π) and radical anion (A˙(-)-π) interactions with aromatic rings: energetic, orbitalic and spin density considerations.

D. Quiñonero, C. Estarellas, A. Frontera, 2011, Physical chemistry chemical physics : PCCP.

RI-MP2 and MPWB1K Study of π-Anion-π' Complexes: MPWB1K Performance and Some Additivity Aspects.

Nino Russo, David Quiñonero, Antonio Frontera, 2011, Journal of chemical theory and computation.

Lone pair–π vs π–π interactions in 5-fluoro-1-hexyluracil and 1-hexyluracil: a combined crystallographic and computational study

D. Quiñonero, E. Molins, C. Estarellas, 2010 .

Theoretical ab initio study of lone pair and anion–π interactions in fluorinated tropolones

D. Quiñonero, A. Frontera, P. M. Deyà, 2012 .

Theoretical ab initio study of anion–π interactions in inorganic rings

D. Quiñonero, A. Frontera, P. M. Deyà, 2012 .

Cooperativity effects between non-covalent interactions: Are they important for Z-DNA stability?

D. Quiñonero, C. Estarellas, A. Frontera, 2010 .

Interplay between cation–π and hydrogen bonding interactions: Are non-additivity effects additive?

Carolina Estarellas, David Quiñonero, Antonio Frontera, 2009 .

Affinity of ferrocene and (1,1')(3,3')[3,3]ferrocenophane to cations

D. Quiñonero, A. Frontera, F. Pichierri, 2006 .

Insight into structural topology and supramolecular assembly of tetrahydrocarbazole-carbonitrile: On the importance of noncovalent interactions and urease inhibitory profile

C. J. McAdam, A. Frontera, R. Gomila, 2023, Journal of Molecular Structure.

Theoretical Study on the Dual Behavior of XeO3 and XeF4 toward Aromatic Rings: Lone Pair-π versus Aerogen-π Interactions.

A. Frontera, A. Bauzá, 2015, Chemphyschem : a European journal of chemical physics and physical chemistry.

Unraveling the impact of hydrogen bonding and C‒H…π(CN) interactions in crystal engineering of cyclic aminobenzonitriles: A combined X-ray crystallographic and computational investigation

C. J. McAdam, A. Frontera, Eman Alzahrani, 2022, Journal of Molecular Structure.

Intramolecular sp2-sp3 Disequalization of Chemically Identical Sulfonamide Nitrogen Atoms: Single Crystal X-Ray Diffraction Characterization, Hirshfeld Surface Analysis and DFT Calculations of N-Substituted Hexahydro-1,3,5-Triazines

A. Frontera, F. Zubkov, M. Grigoriev, 2020 .

Straightforward Three-Component Synthesis of N′,N′′-Disubstituted N-Alkyl-1,3,5-Triazinanes

A. Frontera, F. Zubkov, A. Bunev, 2020, Synlett.

H-Bonds, π-Stacking and (Water)O-H/π Interactions in (µ4-EDTA)Bis(Imidazole) Dicopper(II) Dihydrate

M. E. García-Rubiño, A. Frontera, A. Castiñeiras, 2021, Crystals.

Molecular electrostatic potential and “atoms‐in‐molecules” analyses of the interplay between π‐hole and lone pair···π/X–H···π/metal···π interactions

Antonio Bauzá, Saikat Kumar Seth, Antonio Frontera, 2018, J. Comput. Chem..

Competition between Halogen Bonding and π-Hole Interactions Involving Various Donors: The Role of Dispersion Effects.

A. Frontera, A. Bauzá, 2015, Chemphyschem : a European journal of chemical physics and physical chemistry.

Unveiling NO2π···CC π–hole interactions: A combined computational and crystallographic study

A. Frontera, A. Bauzá, 2015 .

Theoretical study on cooperativity effects between anion-π and halogen-bonding interactions.

D. Quiñonero, C. Estarellas, A. Frontera, 2011, Chemphyschem : a European journal of chemical physics and physical chemistry.

Combined experimental and computational studies on preferential CO2 adsorption over a zinc-based porous framework solid

P. Brandão, P. Van Der Voort, A. Frontera, 2020, New Journal of Chemistry.

Interplay between anion‐π and hydrogen bonding interactions

David Quiñonero, Antonio Frontera, Daniel Escudero, 2008, J. Comput. Chem..

Topochemical [2 + 2] Cycloaddition in a Two-Dimensional Metal-Organic Framework via SCSC Transformation Impacts Halogen···Halogen Interactions.

S. Kitagawa, R. Matsuda, Mohammad Hedayetullah Mir, 2022, Inorganic chemistry.

Exploration of photocatalytic activity of an end-on azide bridged one-dimensional cadmium(II) Schiff base complex for the degradation of organic dye in visible light

Subhasish Subhasish, A. Frontera, S. Chattopadhyay, 2017 .

Designing of Zn(II)-isonicotinohydrazido thiophenyl based 2D coordination polymer: structure, augmented photoconductivity and superior biological activity

K. Jana, P. Ray, S. Dey, 2022, CrystEngComm.

Self-assembly, binding, and dynamic properties of heterodimeric porphyrin macrocycles.

A. I. Oliva, C. Hunter, P. Ballester, 2005, The Journal of organic chemistry.

Analysis of the contribution of the π-acidity of the s-tetrazine ring in the crystal packing of coordination polymers

C. Massera, A. Frontera, P. Gamez, 2013 .

Novel Pb(II) Complexes: X-Ray Structures, Hirshfeld Surface Analysis and DFT Calculations

A. Frontera, G. Mahmoudi, Saikat Kumar Seth, 2020, Crystals.

Novel Chalcogen Bond Donors Derived from [3+2] Cycloaddition Reaction between 2-Pyridylselenyl Reagents and Isocyanates: Synthesis, Structures and Theoretical Studies

A. Frontera, V. Nenajdenko, A. Tskhovrebov, 2023, Crystal Growth & Design.

Cationic Phosphinidene as a Versatile P1 Building Block: [LC-P]+ Transfer from Phosphonio-Phosphanides [LC-P-PR3]+ and Subsequent LC Replacement Reactions (LC = N-Heterocyclic Carbene).

K. Schwedtmann, J. Weigand, A. Frontera, 2023, Journal of the American Chemical Society.

Surface-grafted lanthanoid complexes of the tungstosilicate polyanion [SiW12O40]4-: a synthetic, structural and computational investigation.

J. Mague, M. Mirzaei, A. Frontera, 2018, Acta crystallographica. Section C, Structural chemistry.

Crystal engineering with coordination compounds of NiII, CoII, and CrIII bearing dipicolinic acid driven by the nature of the noncovalent interactions

J. Mague, M. Mirzaei, A. Frontera, 2014 .

Synthesis, X‐ray characterization and density functional theory studies of N 6 ‐benzyl‐N 6 ‐methyladenine–M(II) complexes (M = Zn, Cd): The prominent role of π–π, C–H···π and anion–π interactions

E. Molins, A. Frontera, A. Franconetti, 2019, Applied Organometallic Chemistry.

Crystal structures of N6-modified-aminoacid/peptide nucleobase analogs: hybrid adenine–glycine and adenine–glycylglycine molecules

A. Frontera, E. Vázquez-López, A. Bauzá, 2018 .

Bipolar behaviour of salt-bridges: a combined theoretical and crystallographic study

A. Frontera, A. Bauzá, S. Seth, 2018 .

Synthesis, X-ray characterization and DFT studies of bis-N-imidazolylpyrimidine salts: the prominent role of hydrogen bonding and anion–π interactions

E. Molins, A. Frontera, Antoni Costa, 2014 .

Quadrupole moment versus Molecular Electrostatic Potential: Strange behavior of ethynyl-substituted benzenes

D. Quiñonero, A. Frontera, P. M. Deyà, 2013 .

Putting Anion—π Interactions into Perspective

A. Frontera, M. Mascal, J. Reedijk, 2012 .

σ-Hole Opposite to a Lone Pair: Unconventional Pnicogen Bonding Interactions between ZF3 (Z=N, P, As, and Sb) Compounds and Several Donors.

Antonio Bauzá, Antonio Frontera, A. Frontera, 2016, Chemphyschem : a European journal of chemical physics and physical chemistry.

Thermodynamic characterization of the self-assembly process of a three component heterobimetallic bisporphyrin macrocycle.

P. Ballester, A. Frontera, Almudena González-Álvarez, 2009, The journal of physical chemistry. B.

An insight into the hydrogen bonding, halogen bonding and chalcogen bonding interactions in manganese(iii) complexes with N2O2donor salicylidine Schiff base ligands

M. Drew, A. Frontera, S. Chattopadhyay, 2023, RSC advances.

A combined experimental and theoretical study on two new dinuclear cadmium(II) Schiff base complexes with selenocyanate-κ-Se

Subhasish Subhasish, A. Frontera, S. Chattopadhyay, 2016 .

Noncovalent Interactions Involving Group 6 in Biological Systems: The Case of Molybdopterin and Tungstopterin Cofactors

A. Frontera, A. Bauzá, Antonio Bauzá, 2022, Chemistry.

Theoretical study on σ- and π-hole carboncarbon bonding interactions: implications in CFC chemistry.

A. Frontera, A. Bauzá, Antonio Bauzá, 2016, Physical chemistry chemical physics : PCCP.

Dual Cation and Anion Acceptor Molecules. The Case of the (η6-C6H6)(η6C6F6)Cr(0) Complex

D. Quiñonero, J. Elguero, A. Frontera, 2007 .

Ab initio study of [n.n]paracyclophane (n = 2, 3) complexes with cations: unprecedented through-space substituent effects.

D. Quiñonero, P. Ballester, A. Frontera, 2006, The journal of physical chemistry. A.

S⋅⋅⋅Sn Tetrel Bonds in the Activation of Peroxisome Proliferator-Activated Receptors (PPARs) by Organotin Molecules.

A. Frontera, A. Bauzá, 2018, Chemistry.

On the Importance of Halogen–Halogen Interactions in the Solid State of Fullerene Halides: A Combined Theoretical and Crystallographic Study

A. Frontera, A. Bauzá, Antonio Bauzá, 2017 .

Boron triel bonding: a weak electrostatic interaction lacking electron-density descriptors.

P. Ballester, C. Lecomte, A. Frontera, 2018, Physical chemistry chemical physics : PCCP.

Combined σ- and π-Hole Donor Properties of Perfluorinated Iodo(or bromo)benzenes: Halogen Bonding and π-Hole Interactions in Cocrystals Including Cu4I4 Clusters

A. Frontera, G. Starova, V. Suslonov, 2023, Crystal Growth & Design.

Glutamate carboxypeptidase II as a model system for designing host-guest units: a theoretical approach.

A. Frontera, A. Bauzá, Antonio Bauzá, 2021, Organic & biomolecular chemistry.

Competition between lone pair-π, halogen-π and triel bonding interactions involving BX3 (X = F, Cl, Br and I) compounds: an ab initio study

A. Frontera, A. Bauzá, Antonio Bauzá, 2017, Theoretical Chemistry Accounts.

Charge-assisted triel bonding interactions in solid state chemistry: A combined computational and crystallographic study

A. Frontera, A. Bauzá, Xavier García-Llinás, 2016 .

An experimental and theoretical exploration of supramolecular interactions and photoresponse properties of two Ni(ii) complexes

A. Frontera, S. Jana, Sudipta Pathak, 2021 .

Stacking Interactions: A Supramolecular Approach to Upgrade Weak Halogen Bond Donors

G. Resnati, A. Frontera, Bartomeu Galmés, 2022, Chemistry.

Structural and energetic features of single-walled carbon nanotube junctions: a theoretical ab initio study

D. Quiñonero, P. Ballester, A. Frontera, 2004 .

The Copper(II)-Thiodiacetate (tda) Chelate as Efficient Receptor of N9-(2-Hydroxyethyl)Adenine (9heade): Synthesis, Molecular and Crystal Structures, Physical Properties and DFT Calculations of [Cu(tda)(9heade)(H2O)]·2H2O

D. Choquesillo-Lazarte, A. Frontera, A. Castiñeiras, 2023, Molecules.

Do 2-coordinate iodine(I) and silver(I) complexes form nucleophilic iodonium interactions (NIIs) in solution?

K. Rissanen, R. Lindh, A. Frontera, 2022, Chemical communications.

Macrocyclic complexes based on [N⋯I⋯N]+ halogen bonds.

K. Rissanen, A. Frontera, Elina Kalenius, 2021, Chemical communications.

Tetrel Bonding Interactions in Perchlorinated Cyclopenta- and Cyclohexatetrelanes: A Combined DFT and CSD Study

A. Frontera, A. Bauzá, Antonio Bauzá, 2018, Molecules.

Crystallographic Aspects, Photophysical Properties, and Theoretical Survey of Tetrachlorometallates of Group 12 Metals [Zn(II), Cd(II), and Hg(II)] with a Triply Protonated 2,4,6-Tris(2-pyridyl)-1,3,5-triazine Ligand

A. Frontera, S. Jana, J. Ortega-Castro, 2023, Inorganic chemistry.

Chalcogen Bonding in the Decoration of the Secondary Coordination Sphere of Copper(II) Complexes: Activation of Nitriles, the Auxiliary Ligand Substituent Effect

A. Pombeiro, A. Frontera, K. Mahmudov, 2023, Crystal Growth & Design.

Surprising behaviour of M–CO(lone pair)⋯π(arene) interactions in the solid state of fluorinated oxaphosphirane complexes

G. Schnakenburg, A. Frontera, R. Streubel, 2015 .

Host–guest interactions in the solid state structure of a zinc(II) compound with a protonated diamine and DFT study

A. Frontera, R. Gomila, Puspendu Middya, 2023, Inorganic Chemistry Communications.

Experimental and theoretical studies on the coordination chemistry of the N1-hexyl substituted pyrimidines (uracil, 5-fluorouracil and cytosine).

E. Molins, A. Frontera, A. Bauzá, 2013, Dalton transactions.

Aza-Crown-Based Macrocyclic Probe Design for "PET-off" Multi-Cu2+ Responsive and "CHEF-on" Multi-Zn2+ Sensor: Application in Biological Cell Imaging and Theoretical Studies.

P. Karmakar, E. Garcı́a-España, A. Frontera, 2022, Inorganic chemistry.

Cooperative assemblies featuring hydrogen bonding and C-H…π interactions in 2-(methanesulfonamido)benzohydrazide derivatives: Experimental, computational and biochemical assessment

T. Hökelek, A. Frontera, N. Awwad, 2023, Journal of Molecular Structure.

On the Importance of π-Hole Beryllium Bonds: Theoretical Study and Biological Implications.

A. Frontera, Antonio Bauzá, 2017, Chemistry.

Supramolecular Assemblies in Pb(II) Complexes with Hydrazido-Based Ligands

A. Bacchi, A. Frontera, F. Zubkov, 2019, Crystals.

A versatile chemosensor for the detection of Al3+ and picric acid (PA) in aqueous solution.

A. Frontera, Sanchita Goswami, C. Das Mukhopadhyay, 2018, Dalton transactions.

A Highly Selective Fluorescence Turn-on Probe for Zn2+ Based on New Diaryloxadiazole Chelate

C. Estarellas, A. Frontera, S. Mashraqui, 2011 .

Electronic structure of N₂P₂ four-membered rings.

A. Frontera, D. Escudero, R. Streubel, 2014, Chemphyschem : a European journal of chemical physics and physical chemistry.

Long-range effects in anion-π interactions: their crucial role in the inhibition mechanism of Mycobacterium tuberculosis malate synthase.

D. Quiñonero, A. Frontera, P. M. Deyà, 2014, Chemistry.

On the importance of the inclusion of the basis set superposition error counterpoise correction during optimization of ion-π complexes

D. Quiñonero, A. Frontera, D. Escudero, 2008 .

Induced-Polarization Energy Map: A Helpful Tool for Predicting Geometric Features of Anion-π Complexes.

David Quiñonero, Daniel Escudero, Antonio Frontera, 2007, Journal of chemical theory and computation.

Capturing volatile organic compounds using Ag and Au nanoparticles: regium–π and C–H⋯Ag/Au interactions at work

J. Morey, A. Frontera, M. Piña, 2023, Journal of Materials Chemistry A.

Boron triel bonding: a weak electrostatic interaction lacking electron-density descriptors.

P. Ballester, C. Lecomte, A. Frontera, 2018, Physical chemistry chemical physics : PCCP.

Substituent Effects in Multivalent Halogen Bonding Complexes: A Combined Theoretical and Crystallographic Study

D. Quiñonero, A. Frontera, Antonio Bauzá, 2017, Molecules.

Electrostatically enhanced FF interactions through hydrogen bonding, halogen bonding and metal coordination: an ab initio study.

A. Frontera, Antonio Bauzá, 2016, Physical chemistry chemical physics : PCCP.

Asymmetric Hydrogenation of Seven-Membered C=N-containing Heterocycles and Rationalization of the Enantioselectivity.

A. Frontera, A. Vidal‐Ferran, Bugga Balakrishna, 2016, Chemistry.

H(N3)dap (Hdap = 2,6-Diaminopurine) Recognition by Cu2(EGTA): Structure, Physical Properties, and Density Functional Theory Calculations of [Cu4(μ-EGTA)2(μ-H(N3)dap)2(H2O)2]·7H2O

M. E. García-Rubiño, D. Choquesillo-Lazarte, L. Lezama, 2023, Molecules.

Coordination Polymers Based on Phthalic Acid and Aminopyrazine Ligands: On the Importance of N–H···π Interactions

A. Frontera, Anowar Hossain, S. Mukhopadhyay, 2018, Polymers.

Structure-directing role of CH⋯X (X = C, N, S, Cl) interactions in three ionic cobalt complexes: X-ray investigation and DFT study using QTAIM Vr predictor to eliminate the effect of pure Coulombic forces

A. Frontera, S. Chattopadhyay, Sudip Bhunia, 2023, RSC advances.

Synthesis, X-ray characterization and regium bonding interactions of a trichlorido(1-hexylcytosine)gold(iii) complex.

A. Frontera, M. Barceló-Oliver, A. García-Raso, 2020, Chemical communications.

Metal Centers as Nucleophiles: Oxymoron of Halogen Bond‐Involving Crystal Engineering

A. Frontera, D. Ivanov, Vadim Yu. Kukushkin, 2021, Chemistry.

Halogen bonding effects on the outcome of reactions at metal centres.

A. Frontera, P. V. van Leeuwen, J. Benet‐Buchholz, 2019, Chemical communications.

Theoretical study on cooperativity effects between anion-π and halogen-bonding interactions.

D. Quiñonero, C. Estarellas, A. Frontera, 2011, Chemphyschem : a European journal of chemical physics and physical chemistry.

A Strategy to Synthesize Molecular Knots and Links Using the Hydrophobic Effect.

A. Frontera, Fabien B. L. Cougnon, Kenji Caprice, 2018, Journal of the American Chemical Society.

Push–Pull and Conventional Nitriles as Halogen Bond Acceptors in Their Cocrystals with Iodo-Substituted Perfluorobenzenes

Yulia A. Izotova, A. Frontera, V. Kukushkin, 2023, Crystal Growth & Design.

Anion-π Catalysis on Fullerenes.

S. Matile, A. Frontera, J. López-Andarias, 2017, Journal of the American Chemical Society.

Two-Dimensional Supramolecular Polymerization of a Bis-Urea Macrocycle into a Brick-Like Hydrogen-Bonded Network.

Linda S. Shimizu, A. Frontera, Andrew B. Greytak, 2023, Angewandte Chemie.

1,1,2,2-Tetracyanocyclopropane (TCCP) as supramolecular synthon.

A. Frontera, Antonio Bauzá, T. Mooibroek, 2016, Physical chemistry chemical physics : PCCP.

Ab initio investigations of lithium insertion in boron and nitrogen-doped single-walled carbon nanotubes

D. Quiñonero, P. Ballester, A. Frontera, 2005 .

Fluorogenic In Situ Thioacetalization: Expanding the Chemical Space of Fluorescent Probes, Including Unorthodox, Bifurcated, and Mechanosensitive Chalcogen Bonds

S. Matile, N. Sakai, A. Frontera, 2023, JACS Au.

Multicomponent Supramolecular Assemblies of Melamine and α-Hydroxycarboxylic Acids: Understanding the Hydrogen Bonding Patterns and Their Physicochemical Consequences

Jan K. Zaręba, A. Frontera, A. Castiñeiras, 2018, Crystal Growth & Design.

σ- and π-Hole Interactions

A. Frontera, 2020, Crystals.

Isocyanide π-Hole Interactions Supported by Aurophilic Forces

A. Frontera, V. Kukushkin, M. A. Kinzhalov, 2023, Crystals.

One-Dimensional and Two-Dimensional Zn(II) Coordination Polymers with Ditopic Imidazo[1,5-a]pyridine: A Structural and Computational Study

C. Garino, M. R. Chierotti, A. Frontera, 2024, Molecules.

Supramolecular Nature of Multicomponent Crystals Formed from 2,2′-Thiodiacetic Acid with 2,6-Diaminopurine or N9-(2-Hydroxyethyl)adenine

M. E. García-Rubiño, D. Choquesillo-Lazarte, A. Frontera, 2023, International journal of molecular sciences.