| Electrodonating and electroaccepting powers JL Gázquez, A Cedillo, A Vela The Journal of Physical Chemistry A 111 (10), 1966-1970, 2007 | 804 | 2007 |
| Chemical reactivity theory: A density functional view PK Chattaraj CRC Press, 2009 | 510 | 2009 |
| 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 | 435 | 2006 |
| Perspectives on the density functional theory of chemical reactivity JL Gázquez Journal of the Mexican Chemical Society 52 (1), 3-10, 2008 | 411 | 2008 |
| The hard and soft acids and bases principle: an atoms in molecules viewpoint JL Gazquez, F Mendez The Journal of Physical Chemistry 98 (17), 4591-4593, 1994 | 404 | 1994 |
| 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 | 378 | 2020 |
| Chemical reactivity of enolate ions: the local hard and soft acids and bases principle viewpoint F Mendez, JL Gazquez Journal of the American Chemical Society 116 (20), 9298-9301, 1994 | 373 | 1994 |
| Oxygen vacancy model in strong metal support interaction MG Sanchez, JL Gazquez Journal of Catalysis 104 (1), 120-135, 1987 | 363 | 1987 |
| Electronegativity KD Sen, CK Jorgensen Springer-Verlag, 1987 | 317 | 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 | 251 | 1990 |
| Chemical reactivity in spin-polarized density functional theory M Galván, A Vela, JL Gázquez The Journal of Physical Chemistry 92 (22), 6470-6474, 1988 | 191 | 1988 |
| Chemical hardness KD Sen, DMP Mingos Springer-Verlag, 1993 | 164 | 1993 |
| Hardness functional RG Parr, JL Gazquez The Journal of Physical Chemistry 97 (16), 3939-3940, 1993 | 151 | 1993 |
| Relationship between energy and hardness differences JL Gazquez, A Martinez, F Mendez The Journal of Physical Chemistry 97 (16), 4059-4063, 1993 | 131 | 1993 |
| 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 | 124 | 2012 |
| Hardness and softness in density functional theory JL Gázquez Chemical hardness, 27-43, 1993 | 123 | 1993 |
| On the atomic kinetic energy functionals with full Weizsacker correction JL Gázquez, J Robles The Journal of Chemical Physics 76 (3), 1467-1472, 1982 | 115 | 1982 |
| Revisiting the definition of the electronic chemical potential, chemical hardness, and softness at finite temperatures M Franco-Pérez, JL Gázquez, PW Ayers, A Vela The Journal of chemical physics 143 (15), 2015 | 98 | 2015 |
| Electronegativities and hardnesses of open shell atoms JL Gázquez, E Ortiz The Journal of chemical physics 81 (6), 2741-2748, 1984 | 95 | 1984 |
| Extended Hückel parameters from density functional theory A Vela, JL Gazquez The Journal of Physical Chemistry 92 (20), 5688-5693, 1988 | 92 | 1988 |
Alberto VelaDepartment of Chemistry, Cinvestav, MexicoVerifisert e-postadresse på cinvestav.mx