Alberto Vela

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José L. GázquezProfessor of Chemistry, Universidad Autónoma Metropolitana-IztapalapaVerified email at xanum.uam.mx
Dennis R. SalahubProfessor Emeritus of Chemistry, University of CalgaryVerified email at ucalgary.ca
S.B. TrickeyProfessor, Physics and Chemistry, Univ. of Florida Verified email at ufl.edu
Gabriel MerinoApplied Physics Department, Cinvestav, Merida. MexicoVerified email at cinvestav.mx
Paul W. AyersProfessor of Chemistry & Chemical Biology, McMaster UniversityVerified email at chemistry.mcmaster.ca
Marco Franco-PérezFacultad de Química, UNAMVerified email at comunidad.unam.mx
Patrizia CalaminiciChemistry Department, Cinvestav, MEXICOVerified email at cinvestav.mx
Jorge M. del CampoFacultad de Química, UNAMVerified email at unam.mx
Méndez Rojas, Miguel AngelProfessor, Dept. Chemical & Biological Sciences, Universidad de las Americas PueblaVerified email at udlap.mx
Marcelo GalvanUniversidad Autónoma Metropolitana IztapalapaVerified email at xanum.uam.mx
Thomas HeineProfessor of Theoretical ChemistryVerified email at tu-dresden.de
Liliana QuintanarCentro de Investigación y de Estudios Avanzados (Cinvestav)Verified email at cinvestav.mx
Andrés CedilloUniversidad Autónoma Metropolitana-IztapalapaVerified email at xanum.uam.mx
Emil Proynov (Proinov before 1992)Texas Christian UniversityVerified email at tcu.edu
Jorge GarzaUniversidad Autónona MetropolitanaVerified email at xanum.uam.mx
Mark CasidaDépartement de Chimie Moléculaire (DCM), Université Grenoble Alpes (UGA)Verified email at univ-grenoble-alpes.fr
Eliseo RuizUniversitat de BarcelonaVerified email at qi.ub.es
Eusebio JuaristiCentro de Investigacion y de Estudios AvanzadosVerified email at relaq.mx
Roberto Flores-MorenoUniversidad de Guadalajara - Departamento de Quimica, MexicoVerified email at academicos.udg.mx
Lina Andrea Rivillas AcevedoUniversidad Autónoma del Estado de MorelosVerified email at uaem.mx

Alberto Vela

Department of Chemistry, Cinvestav, Mexico

Verified email at cinvestav.mx

density functional theory chemical reactivity theoretical chemistry biological chemistry


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Electrodonating and electroaccepting powers JL Gázquez, A Cedillo, A Vela The Journal of Physical Chemistry A 111 (10), 1966-1970, 2007	776	2007
Quantum chemical study of the inhibitive properties of 2-pyridyl-azoles B Gómez, NV Likhanova, MA Domínguez-Aguilar, R Martínez-Palou, ... The Journal of Physical Chemistry B 110 (18), 8928-8934, 2006	429	2006
Conceptual density functional theory: status, prospects, issues P Geerlings, E Chamorro, PK Chattaraj, F De Proft, JL Gázquez, S Liu, ... Theoretical Chemistry Accounts 139 (2), 36, 2020	347	2020
electronegativity kalidas Sen, Jørgensen, julio Alonson	306	1987
A relationship between the static dipole polarizability, the global softness, and the fukui function A Vela, JL Gazquez Journal of the American Chemical Society 112 (4), 1490-1492, 1990	241	1990
Recent advances in planar tetracoordinate carbon chemistry G Merino, MA Méndez‐Rojas, A Vela, T Heine Journal of computational chemistry 28 (1), 362-372, 2007	226	2007
Charge-transfer complexes: Stringent tests for widely used density functionals E Ruiz, DR Salahub, A Vela The Journal of Physical Chemistry 100 (30), 12265-12276, 1996	218	1996
Description of electron delocalization via the analysis of molecular fields G Merino, A Vela, T Heine Chemical reviews 105 (10), 3812-3841, 2005	215	2005
DeMon2k G Geudtner, P Calaminici, J Carmona‐Espíndola, JM del Campo, ... Wiley Interdisciplinary Reviews: Computational Molecular Science 2 (4), 548-555, 2012	203	2012
Chemical reactivity in spin-polarized density functional theory M Galvan, A Vela, JL Gázquez The Journal of Physical Chemistry 92 (22), 6470-6474, 1988	189	1988
DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials science AM Teale, T Helgaker, A Savin, C Adamo, B Aradi, AV Arbuznikov, ... Physical chemistry chemical physics 24 (47), 28700-28781, 2022	169	2022
Troubleshooting time-dependent density-functional theory for photochemical applications: Oxirane F Cordova, LJ Doriol, A Ipatov, ME Casida, C Filippi, A Vela The Journal of chemical physics 127 (16), 2007	167	2007
Defining the domain of density functionals: charge-transfer complexes E Ruiz, DR Salahub, A Vela Journal of the American Chemical Society 117 (3), 1141-1142, 1995	161	1995
demon2k AM Köster, A Goursot, DR Salahub Elsevier, 2013	160	2013
Determining and extending the domain of exchange and correlation functionals EI Proynov, E Ruiz, A Vela, DR Salahub International Journal of Quantum Chemistry 56 (S29), 61-78, 1995	155	1995
Planar tetracoordinate carbon in extended systems PD Pancharatna, MA Méndez-Rojas, G Merino, A Vela, R Hoffmann Journal of the American Chemical Society 126 (46), 15309-15315, 2004	151	2004
Theoretical analysis of the smallest carbon cluster containing a planar tetracoordinate carbon G Merino, MA Méndez-Rojas, HI Beltrán, C Corminboeuf, T Heine, A Vela Journal of the American Chemical Society 126 (49), 16160-16169, 2004	138	2004
The implications of symmetry of the external potential on bond paths E Cerpa, A Krapp, A Vela, G Merino Chemistry-A European Journal 14 (33), 10232, 2008	132	2008
DeMon2K, Version 3 AM Koster, G Geudtner, P Calaminici, ME Casida, VD Dominguez, ... The deMon Developers, Cinvestav: Mexico City, Mexico, 2011	124	2011
Non-empirical improvement of PBE and its hybrid PBE0 for general description of molecular properties JM del Campo, JL Gázquez, SB Trickey, A Vela The Journal of chemical physics 136 (10), 2012	118	2012

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