Следене
Alberto Vela
Alberto Vela
Department of Chemistry, Cinvestav, Mexico
Потвърден имейл адрес: cinvestav.mx
Заглавие
Позовавания
Позовавания
Година
Electrodonating and electroaccepting powers
JL Gázquez, A Cedillo, A Vela
The Journal of Physical Chemistry A 111 (10), 1966-1970, 2007
8032007
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
4342006
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
3772020
electronegativity
kalidas Sen, Jørgensen, julio Alonson
3161987
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
2511990
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
2322007
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
2241996
Description of electron delocalization via the analysis of molecular fields
G Merino, A Vela, T Heine
Chemical reviews 105 (10), 3812-3841, 2005
2182005
DeMon2k
G Geudtner, P Calaminici, J Carmona‐Espíndola, JM del Campo, ...
Wiley Interdisciplinary Reviews: Computational Molecular Science 2 (4), 548-555, 2012
2112012
Chemical reactivity in spin-polarized density functional theory
M Galván, A Vela, JL Gázquez
The Journal of Physical Chemistry 92 (22), 6470-6474, 1988
1901988
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
1882022
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
1712007
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
1621995
demon2k
AM Köster, A Goursot, DR Salahub
Elsevier, 2013
1582013
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
1571995
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
1522004
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
1432004
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
1322008
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
1232012
DeMon2K, Version 3
AM Koster, G Geudtner, P Calaminici, ME Casida, VD Dominguez, ...
The deMon Developers, Cinvestav: Mexico City, Mexico, 2011
1212011
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Статии 1–20