C. Garau

发表

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 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.

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.

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.

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 .

Pilot-scale direct UV-C photodegradation of pesticides in groundwater and recycled wastewater for agricultural use

J. Vieillard, F. Portet-Koltalo, C. Garau, 2021 .

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

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

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

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

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 .

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 .

Anion-pi Interactions: do they exist?

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

Anion‐π Interactions

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

Anion–π Interactions in Cyanuric Acids: A Combined Crystallographic and Computational Study

D. Quiñonero, A. Frontera, F. Sa̧czewski, 2005 .

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 .

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

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

Counterintuitive interaction of anions with benzene derivatives

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

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.

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 .

Anion-pi Interactions: do they exist?

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

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 .

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

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

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.

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.

Affinity of ferrocene and (1,1')(3,3')[3,3]ferrocenophane to cations

D. Quiñonero, A. Frontera, F. Pichierri, 2006 .

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.

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

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

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

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