A. Bauzá

发表

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.

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

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

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

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

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.

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

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

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

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

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

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

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 .

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.

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 .

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

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

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.

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.

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.

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.

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.

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

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

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.

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 .

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 .

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.

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 .

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 .

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 .

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.

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 .

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

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

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.

Selenoxides as Excellent Chalcogen Bond Donors: Effect of Metal Coordination

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

Cationic 5-phosphonio-substituted N-heterocyclic carbenes.

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

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.

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.

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

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

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 .

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

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

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

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

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 .

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.

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 .

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.

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

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

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.

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.

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.

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.

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.

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 .

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.

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 .

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 .

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.

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.

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 .

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 .

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 .

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 .

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 .

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.

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.

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 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.

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 .

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

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

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.

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 .

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.

Synthesis, structural features, antibacterial behaviour and theoretical investigation of two new manganese(III) Schiff base complexes

D. Maiti, Subhadip Roy, V. McKee, 2018, Polyhedron.

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.

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 .

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 .

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.

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 .

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 .

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 .

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 .

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 .

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 .

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 .

Relevant and unprecedented C-H/σ supramolecular interactions involving σ-aromatic M2X2 cores.

S. Mitra, A. Frontera, C. Rizzoli, 2014, Dalton transactions.

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 .

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.

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 .

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 .

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 .

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 .

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.

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 .

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.

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 .

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.

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.

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.

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.

Chalcogen ‘like-like’ Interactions Involving Trisulphide and Triselenide Compounds: A Combined CSD and Ab Initio Study

A. Frontera, A. Bauzá, Antonio Bauzá, 2018, Molecules.

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 .

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.

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.

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-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 .

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 .

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 .

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.

Spodium bonds: noncovalent interactions involving group 12 of elements.

J. Elguero, A. Frontera, I. Alkorta, 2020, Angewandte Chemie.

Computational study of anion recognition based on tetrel and hydrogen bonding interaction by calix[4]pyrrole derivatives

A. Frontera, R. Ramis, A. Bauzá, 2014 .

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.

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.

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.

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.

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.

Mononuclear and dinuclear trimethylplatinum(IV) iodide complexes of 3-substituted pyridines

S. Schlecht, A. Frontera, A. Bauzá, 2017 .

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.

Molecular 1,1'-bifunctional mixed-valence P-P compounds, enabled through metal complexation.

G. Schnakenburg, A. Frontera, R. Streubel, 2021, Dalton transactions.

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.

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 .

Anion−π Interactions in Hollow Crystals of a Copper(II)-Cyamelurate Coordination Complex

J. Pasán, C. Ruiz-Pérez, A. Frontera, 2018 .

Solvent-controlled construction of manganese(II) complexes with 4-acetylpyridine nicotinoylhydrazone ligand

Amy L. Pochodylo, R. Laduca, A. Frontera, 2015 .

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.

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 .

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 .

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 .

Structural basis for molecular recognition, theoretical studies and anti-bacterial properties of three bis-uracil derivatives

Subhadip Roy, A. Frontera, Subrata Das, 2014 .

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 .

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 .

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 .

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.

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 .

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.

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 .

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.

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.

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.

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 .

On the directionality of anion-π interactions.

D. Quiñonero, C. Estarellas, A. Frontera, 2011, Physical chemistry chemical physics : PCCP.

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.

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.

Weak interactions within nitryl halide heterodimers

D. Quiñonero, J. Elguero, I. Alkorta, 2016 .

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 .

Structural predictions of protein–DNA binding: MELD-DNA

A. Bauzá, Alberto Perez, Reza Esmaeeli, 2023, Nucleic acids research.

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.

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.

New chloride-dimethylsulfoxide-iridium(III) complex with histaminium

E. Molins, A. Frontera, A. Bauzá, 2015 .

Structural and Theoretical Evidence of the Depleted Proton Affinity of the N3-Atom in Acyclovir

A. Bauzá, Antonio Matilla-Hernández, Inmaculada Pérez-Toro, 2016 .

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 .

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.

Regium−π Bonds Involving Nucleobases: Theoretical Study and Biological Implications

A. Frontera, A. Bauzá, Sergi Burguera, 2023, Inorganic chemistry.

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.

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.

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.

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 .

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.

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 .

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 .

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 .

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 .

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 .

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.

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.

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.

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 .

Tetrel Bonding Interactions in Perchlorinated Cyclopenta- and Cyclohexatetrelanes: A Combined DFT and CSD Study

A. Frontera, A. Bauzá, Antonio Bauzá, 2018, Molecules.

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 .

On the Importance of Halogen and Chalcogen Bonds in the Solid State of Nucleic Acids: A Combined Crystallographic and Theoretical Perspective

A. Bauzá, M. Piña, Antonio Bauzá, 2023, International journal of molecular sciences.

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.