D. Quiñonero

发表

SUPPORTING INFORMATION

K. A. López, M. N. Piña, D. Quiñonero, 2004 .

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.

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 .

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.

A theoretical study of aromaticity in squaramide complexes with anions

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

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

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

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.

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.

Molecular interaction potential with polarization (MIPp) study of the interplay between anion-pi and hydrogen bonding interactions.

D. Quiñonero, D. Escudero, Antonio Frontera Beccaria, 2008 .

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 density functional study of geometry and electronic structures of [(SiO4)(MIII)2(OH)2W10O32]4−, M = Mo, Ru and Rh

K. Morokuma, D. Quiñonero, Y. Geletii, 2007 .

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

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

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 .

Hydrogen Bond versus Halogen Bond in Cation-Cation Complexes: Effect of the Solvent.

D. Quiñonero, J. Elguero, I. Alkorta, 2017, Chemphyschem : a European journal of chemical physics and physical chemistry.

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

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

Theoretical studies of the complex [(BPMEN)Fe(II)(NCCH3)2](2+), precursor of non-heme iron catalysts for olefin epoxidation and cis-dihydroxylation.

K. Morokuma, D. Quiñonero, D. Musaev, 2003, Inorganic chemistry.

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.

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 .

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

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

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

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

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.

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

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

Hydrolysis of chemically distinct sites of human serum albumin by polyoxometalate: A hybrid QM/MM (ONIOM) study

Tatjana N. Parac-Vogt, Qiaoyu Hu, Vindi M. Jayasinghe-Arachchige, 2018, J. Comput. Chem..

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 .

Experimental and computational study of the interplay between C-H/pi and anion-pi interactions.

D. Quiñonero, Ana M. Rodríguez, P. M. Deyà, 2010, Dalton transactions.

Synthesis and structure of cis-[RuCl(bpzm)(κ1-P-dpim)(κ2-P,N-dpim)]Cl·(CHCl3)5. Stability of [Cl(HCCl3) n ]− aggregates

D. Quiñonero, B. Manzano, F. A. Jalón, 2012 .

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.

Ab initio calculations on zinc porphyrins complexed to amines: geometrical details and NMR chemical shifts

D. Quiñonero, P. Ballester, A. Frontera, 2000 .

Sigma-hole carbon-bonding interactions in carbon-carbon double bonds: an unnoticed contact.

D. Quiñonero, 2017, Physical chemistry chemical physics : PCCP.

Anion‐π Interactions

D. Quiñonero, P. Ballester, A. Frontera, 2006 .

New [2 × 2] copper(i) grids as anion receptors. Effect of ligand functionalization on the ability to host counteranions by hydrogen bonds.

J. Steed, D. Quiñonero, Ana M. Rodríguez, 2010, Inorganic chemistry.

Computational studies of the geometry and electronic structure of an all-inorganic and homogeneous tetra-Ru-polyoxotungstate catalyst for water oxidation and its four subsequent one-electron oxidized forms.

D. Quiñonero, Y. Geletii, D. Musaev, 2010, The journal of physical chemistry. A.

Structural, physicochemical, and reactivity properties of an all-inorganic, highly active tetraruthenium homogeneous catalyst for water oxidation.

D. Quiñonero, Y. Geletii, D. Musaev, 2009, Journal of the American Chemical Society.

The role of the central atom in structure and reactivity of polyoxometalates with adjacent d-electron metal sites. computational and experimental studies of gamma-[(Xn+O4)RuIII2(OH)2(MFM)10O32](8-n)-) for MFM = Mo and W, and X = AlIII, SiIV, PV, and SVI.

K. Morokuma, D. Quiñonero, Lyuba Khavrutskii, 2006, The journal of physical chemistry. B.

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 .

Synthetic Tripodal Squaramido‐Based Receptors for the Complexation of Antineoplastic Folates in Water

K. A. López, M. N. Piña, D. Quiñonero, 2011 .

Synthetic prodiginine obatoclax (GX15-070) and related analogues: anion binding, transmembrane transport, and cytotoxicity properties.

D. Quiñonero, T. Torroba, R. Quesada, 2011, Chemistry.

MP2 study of anion–π complexes of trifluoro-s-triazine with tetrahedral and octahedral anions

D. Quiñonero, P. Ballester, A. Frontera, 2007 .

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.

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 .

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.

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 .

Anion Recognition by Pyrylium Cations and Thio-, Seleno- and Telluro- Analogues: A Combined Theoretical and Cambridge Structural Database Study

D. Quiñonero, 2015, Molecules.

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.

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.

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 .

Counterintuitive interaction of anions with benzene derivatives

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

Conformational analysis of a model synthetic prodiginine.

D. Quiñonero, R. Quesada, M. García-Valverde, 2012, The Journal of organic chemistry.

2-Aminopyrimidine Derivatives Exhibiting Anion-π Interactions: A Combined Crystallographic and Theoretical Study

D. Quiñonero, E. Molins, C. Estarellas, 2009 .

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.

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.

Theoretical ab initio study of substituted benzene trimer: Interplay between hydrogen bonding and π–π interactions

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

Metal-peroxo versus metal-oxo oxidants in non-heme iron-catalyzed olefin oxidations: computational and experimental studies on the effect of water.

K. Morokuma, D. Quiñonero, L. Que, 2005, Journal of the American Chemical Society.

Investigating Polyoxometalate-Protein Interactions at Chemically Distinct Binding Sites.

Thomas J. Paul, D. Quiñonero, T. Parac‐Vogt, 2018, The journal of physical chemistry. B.

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 .

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 .

Pnicogen-π complexes: theoretical study and biological implications.

David Quiñonero, Antonio Bauzá, Antonio Frontera, 2012, Physical chemistry chemical physics : PCCP.

Anion-pi Interactions: do they exist?

D. Quiñonero, P. Ballester, A. Frontera, 2002, Angewandte Chemie.

Metastable dianions and dications.

D. Quiñonero, J. Elguero, I. Alkorta, 2020, Chemphyschem : a European journal of chemical physics and physical chemistry.

Weak interactions within nitryl halide heterodimers

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

Cation-cation and anion-anion complexes stabilized by halogen bonds.

D. Quiñonero, J. Elguero, I. Alkorta, 2016, Physical chemistry chemical physics : PCCP.

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.

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 .

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.

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 .

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 .

Highly efficient coordination of Hg2+ and Pb2+ metals in water with squaramide-coated Fe3O4 nanoparticles

K. A. López, D. Quiñonero, P. Ballester, 2014 .

Anion-π interactions in five-membered rings: a combined crystallographic and ab initio study

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

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 .

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.

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.

Interplay between ion–π and Ar/π Van der Waals interactions

D. Quiñonero, A. Frontera, P. M. Deyà, 2012 .

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 .

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.

Interplay between anion‐π and hydrogen bonding interactions

David Quiñonero, Antonio Frontera, Daniel Escudero, 2008, J. Comput. Chem..

Quadrupole moment versus Molecular Electrostatic Potential: Strange behavior of ethynyl-substituted benzenes

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

Control of the assembly of a cyclic hetero[4]pseudorotaxane from a self-complementary [2]rotaxane

D. Quiñonero, J. Berná, Aurelia Pastor, 2023, Chemical science.

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.

Cations brought together by hydrogen bonds: the protonated pyridine-boronic acid dimer explained.

D. Quiñonero, J. Elguero, I. Alkorta, 2019, Physical chemistry chemical physics : PCCP.

Structural and energetic features of single-walled carbon nanotube junctions: a theoretical ab initio study

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

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.

Substituent Effects in Multivalent Halogen Bonding Complexes: A Combined Theoretical and Crystallographic Study

D. Quiñonero, A. Frontera, Antonio Bauzá, 2017, Molecules.

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.

MP2 study of cooperative effects between cation??, anion?? and ??? interactions

D. Quiñonero, P. Ballester, A. Frontera, 2007 .

Ab initio investigations of lithium insertion in boron and nitrogen-doped single-walled carbon nanotubes

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

Structural, physicochemical, and reactivity properties of an all-inorganic, highly active tetraruthenium homogeneous catalyst for water oxidation.

D. Quiñonero, Y. Geletii, D. Musaev, 2009, Journal of the American Chemical Society.