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José L. Gázquez
José L. Gázquez
Подтвержден адрес электронной почты в домене xanum.uam.mx - Главная страница
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Процитировано
Процитировано
Год
Electrodonating and electroaccepting powers
JL Gázquez, A Cedillo, A Vela
The Journal of Physical Chemistry A 111 (10), 1966-1970, 2007
7972007
Chemical reactivity theory: A density functional view
PK Chattaraj
CRC Press, 2009
5012009
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
4372006
Perspectives on the density functional theory of chemical reactivity
JL Gázquez
Journal of the Mexican Chemical Society 52 (1), 3-10, 2008
4062008
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
4051994
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
3741994
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
3672020
Oxygen vacancy model in strong metal support interaction
MG Sanchez, JL Gazquez
Journal of Catalysis 104 (1), 120-135, 1987
3631987
Electronegativity
KD Sen, CK Jorgensen
Springer-Verlag, 1987
3111987
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
2431990
Chemical reactivity in spin-polarized density functional theory
M Galvan, A Vela, JL Gázquez
The Journal of Physical Chemistry 92 (22), 6470-6474, 1988
1901988
Chemical hardness
KD Sen, DMP Mingos
Springer-Verlag, 1993
1641993
Hardness functional
RG Parr, JL Gazquez
The Journal of Physical Chemistry 97 (16), 3939-3940, 1993
1551993
Relationship between energy and hardness differences
JL Gazquez, A Martinez, F Mendez
The Journal of Physical Chemistry 97 (16), 4059-4063, 1993
1311993
Hardness and softness in density functional theory
JL Gázquez
Chemical hardness, 27-43, 1993
1241993
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
On the atomic kinetic energy functionals with full Weizsacker correction
JL Gázquez, J Robles
The Journal of Chemical Physics 76 (3), 1467-1472, 1982
1121982
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
942015
Electronegativities and hardnesses of open shell atoms
JL Gázquez, E Ortiz
The Journal of chemical physics 81 (6), 2741-2748, 1984
941984
The hard and soft acids and bases principle
JL Gázquez
The Journal of Physical Chemistry A 101 (26), 4657-4659, 1997
911997
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