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Journal of Chemical Theory and Computation
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November 28, 2018
Generalized Gradient Approximation Exchange Energy Functional with Near-Best Semilocal Performance
Javier Carmona-Espíndola, José L Gázquez, Alberto Vela, et al.
Journal of Computational Chemistry
|
January 26, 2006
Parallelization of the deMon2k code
Gerald Geudtner, Florian Janetzko, Andreas M Köster, et al.
The Journal of Chemical Physics
|
August 24, 2017
Thermodynamic hardness and the maximum hardness principle
Marco Franco-Pérez, José L Gázquez, Paul W Ayers, et al.
Physical Chemistry Chemical Physics : PCCP
|
May 13, 2017
Local chemical potential, local hardness, and dual descriptors in temperature dependent chemical reactivity theory
Marco Franco-Pérez, Paul W Ayers, José L Gázquez, et al.
The Journal of Chemical Physics
|
October 24, 2015
Revisiting the definition of the electronic chemical potential, chemical hardness, and softness at finite temperatures
Marco Franco-Pérez, José L Gázquez, Paul W Ayers, et al.
Physical Chemistry Chemical Physics : PCCP
|
November 7, 2014
Revisiting electroaccepting and electrodonating powers: proposals for local electrophilicity and local nucleophilicity descriptors
Christophe Morell, José L Gázquez, Alberto Vela, et al.
The Journal of Chemical Physics
|
February 10, 2015
Generalized gradient approximation exchange energy functional with correct asymptotic behavior of the corresponding potential
Javier Carmona-Espíndola, José L Gázquez, Alberto Vela, et al.
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
January 24, 2019
Natural orbital functional for spin-polarized periodic systems
Raul Quintero-Monsebaiz, Ion Mitxelena, Mauricio Rodríguez-Mayorga, et al.
Journal of Computational Chemistry
|
April 22, 2006
Half-numerical evaluation of pseudopotential integrals
Roberto Flores-Moreno, Rodrigo J Alvarez-Mendez, Alberto Vela, et al.
The Journal of Chemical Physics
|
March 20, 2012
Non-empirical improvement of PBE and its hybrid PBE0 for general description of molecular properties
Jorge M del Campo, José L Gázquez, S B Trickey, et al.
Page
of 7
Search research articles
Search
Showing results (31-40 of 67) with videos related to
Sort By:
Page
of 7
Journal of Chemical Theory and Computation
|
November 28, 2018
Generalized Gradient Approximation Exchange Energy Functional with Near-Best Semilocal Performance
Javier Carmona-Espíndola, José L Gázquez, Alberto Vela, et al.
Journal of Computational Chemistry
|
January 26, 2006
Parallelization of the deMon2k code
Gerald Geudtner, Florian Janetzko, Andreas M Köster, et al.
The Journal of Chemical Physics
|
August 24, 2017
Thermodynamic hardness and the maximum hardness principle
Marco Franco-Pérez, José L Gázquez, Paul W Ayers, et al.
Physical Chemistry Chemical Physics : PCCP
|
May 13, 2017
Local chemical potential, local hardness, and dual descriptors in temperature dependent chemical reactivity theory
Marco Franco-Pérez, Paul W Ayers, José L Gázquez, et al.
The Journal of Chemical Physics
|
October 24, 2015
Revisiting the definition of the electronic chemical potential, chemical hardness, and softness at finite temperatures
Marco Franco-Pérez, José L Gázquez, Paul W Ayers, et al.
Physical Chemistry Chemical Physics : PCCP
|
November 7, 2014
Revisiting electroaccepting and electrodonating powers: proposals for local electrophilicity and local nucleophilicity descriptors
Christophe Morell, José L Gázquez, Alberto Vela, et al.
The Journal of Chemical Physics
|
February 10, 2015
Generalized gradient approximation exchange energy functional with correct asymptotic behavior of the corresponding potential
Javier Carmona-Espíndola, José L Gázquez, Alberto Vela, et al.
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
January 24, 2019
Natural orbital functional for spin-polarized periodic systems
Raul Quintero-Monsebaiz, Ion Mitxelena, Mauricio Rodríguez-Mayorga, et al.
Journal of Computational Chemistry
|
April 22, 2006
Half-numerical evaluation of pseudopotential integrals
Roberto Flores-Moreno, Rodrigo J Alvarez-Mendez, Alberto Vela, et al.
The Journal of Chemical Physics
|
March 20, 2012
Non-empirical improvement of PBE and its hybrid PBE0 for general description of molecular properties
Jorge M del Campo, José L Gázquez, S B Trickey, et al.
Page
of 7