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José L. Gázquez
Tytuł
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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
5562007
Chemical reactivity theory: A density functional view
PK Chattaraj
CRC Press, 2009
4382009
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
3691994
Oxygen vacancy model in strong metal support interaction
MG Sanchez, JL Gazquez
Journal of Catalysis 104 (1), 120-135, 1987
3391987
Perspectives on the density functional theory of chemical reactivity
JL Gázquez
Journal of the Mexican Chemical Society 52 (1), 3-10, 2008
3292008
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
3222006
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
3101994
Electronegativity
KD Sen, CK Jorgensen
Springer-Verlag, 1987
2791987
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
1921990
Chemical reactivity in spin-polarized density functional theory
M Galvan, A Vela, JL Gazquez
The Journal of Physical Chemistry 92 (22), 6470-6474, 1988
1651988
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), 1-18, 2020
1642020
Hardness functional
RG Parr, JL Gazquez
The Journal of Physical Chemistry 97 (16), 3939-3940, 1993
1471993
Chemical hardness
KD Sen, DMP Mingos
Springer-Verlag, 1993
1461993
Relationship between energy and hardness differences
JL Gazquez, A Martinez, F Mendez
The Journal of Physical Chemistry 97 (16), 4059-4063, 1993
1221993
Electron gas models and density functional theory
JL Gázquez
Density Functional Theory, 229-258, 1983
105*1983
On the atomic kinetic energy functionals with full Weizsacker correction
JL Gázquez, J Robles
The Journal of Chemical Physics 76 (3), 1467-1472, 1982
971982
Electronegativities and hardnesses of open shell atoms
JL Gázquez, E Ortiz
The Journal of chemical physics 81 (6), 2741-2748, 1984
921984
Extended Hückel parameters from density functional theory
A Vela, JL Gazquez
The Journal of Physical Chemistry 92 (20), 5688-5693, 1988
881988
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), 104108, 2012
872012
The hard and soft acids and bases principle
JL Gázquez
The Journal of Physical Chemistry A 101 (26), 4657-4659, 1997
791997
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