Alberto Vela
Alberto Vela
Department of Chemistry, Cinvestav, Mexico
Adresse e-mail validée de cinvestav.mx
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Electrodonating and electroaccepting powers
JL Gazquez, A Cedillo, A Vela
The Journal of Physical Chemistry A 111 (10), 1966-1970, 2007
3822007
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
2482006
Electronegativity
JA Alsono
Springer Berlin Heidelberg, 1987
2391987
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
2071996
Description of electron delocalization via the analysis of molecular fields
G Merino, A Vela, T Heine
Chemical reviews 105 (10), 3812-3841, 2005
1802005
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
1751990
Recent advances in planar tetracoordinate carbon chemistry
G Merino, MA Mendez‐Rojas, A Vela, T Heine
Journal of computational chemistry 28 (1), 362-372, 2007
1642007
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
1551995
Chemical reactivity in spin-polarized density functional theory
M Galvan, A Vela, JL Gazquez
The Journal of Physical Chemistry 92 (22), 6470-6474, 1988
1521988
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
1371995
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
1302004
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), 164111, 2007
1212007
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
1172004
DeMon2k
G Geudtner, P Calaminici, J Carmona‐Espíndola, JM del Campo, ...
Wiley Interdisciplinary Reviews: Computational Molecular Science 2 (4), 548-555, 2012
1132012
demon2k
AM Köster, A Goursot, DR Salahub
Elsevier, 2013
1112013
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
1092008
(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
1062003
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
1041994
Nonlocal correlation functional involving the Laplacian of the density
EI Proynov, A Vela, DR Salahub
Chemical physics letters 230 (4-5), 419-428, 1994
971994
Extended Hückel parameters from density functional theory
A Vela, JL Gazquez
The Journal of Physical Chemistry 92 (20), 5688-5693, 1988
931988
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