Alberto Vela

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José L. GázquezProfessor of Chemistry, Universidad Autónoma Metropolitana-IztapalapaVerified email at xanum.uam.mx
Gabriel MerinoApplied Physics Department, Cinvestav, Merida. MexicoVerified email at cinvestav.mx
S.B. TrickeyProfessor, Physics and Chemistry, Univ. of Florida Verified email at ufl.edu
Dennis R. SalahubProfessor Emeritus of Chemistry, University of CalgaryVerified email at ucalgary.ca
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 CampoUNAMVerified 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
Andrés CedilloUniversidad Autónoma Metropolitana-IztapalapaVerified email at xanum.uam.mx
Jorge GarzaUniversidad Autónona MetropolitanaVerified email at xanum.uam.mx
Liliana QuintanarCentro de Investigación y de Estudios Avanzados (Cinvestav)Verified email at cinvestav.mx
Emil Proynov (Proinov before 1992)Texas Christian UniversityVerified email at tcu.edu
Mark CasidaDépartement de Chimie Moléculaire (DCM), Université Grenoble Alpes (UGA)Verified email at univ-grenoble-alpes.fr
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
kalidas senINSA Honorary Scientist, School of Chemistry,University of HyderabadVerified email at uohyd.ac.in

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	639	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	381	2006
electronegativity kalidas Sen, Jørgensen, julio Alonson	297	1987
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	250	2020
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	221	1996
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	215	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	206	2007
Description of electron delocalization via the analysis of molecular fields G Merino, A Vela, T Heine Chemical reviews 105 (10), 3812-3841, 2005	205	2005
Chemical reactivity in spin-polarized density functional theory M Galvan, A Vela, JL Gázquez The Journal of Physical Chemistry 92 (22), 6470-6474, 1988	182	1988
DeMon2k G Geudtner, P Calaminici, J Carmona‐Espíndola, JM del Campo, ... Wiley Interdisciplinary Reviews: Computational Molecular Science 2 (4), 548-555, 2012	181	2012
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
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	156	1995
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	154	2007
demon2k AM Köster, A Goursot, DR Salahub Elsevier, 2013	150	2013
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	146	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	135	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), 10232-10234, 2008	132	2008
DeMon2K, Version 3 AM Koster, G Geudtner, P Calaminici, ME Casida, VD Dominguez, ... The deMon Developers, Cinvestav, México, 2011	113	2011
(C₅M₂_-_n)ⁿ^- (M = Li, Na, K, and n = 0, 1, 2). A New Family of Molecules Containing Planar Tetracoordinate Carbons G Merino, MA Méndez-Rojas, A Vela Journal of the American Chemical Society 125 (20), 6026-6027, 2003	112	2003
Stereoelectronic interpretation for the anomalous 1H NMR chemical shifts and one-bond CH coupling constants (Perlin effects) in 1, 3-dioxanes, 1, 3-oxathianes, and 1, 3 … E Juaristi, G Cuevas, A Vela Journal of the American Chemical Society 116 (13), 5796-5804, 1994	110	1994

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