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The Journal of Physical Chemistry. A
|
April 21, 2017
Global and Local Partitioning of the Charge Transferred in the Parr-Pearson Model
Angel Ulises Orozco-Valencia, José L Gázquez, Alberto Vela
Journal of Computational Chemistry
|
December 5, 2006
Recent advances in planar tetracoordinate carbon chemistry
Gabriel Merino, Miguel A Méndez-Rojas, Alberto Vela, et al.
The Journal of Physical Chemistry. B
|
December 18, 2012
Structural models for Cu(II) bound to the fragment 92-96 of the human prion protein
Rafael Grande-Aztatzi, Lina Rivillas-Acevedo, Liliana Quintanar, et al.
The Journal of Chemical Physics
|
June 15, 2007
Chemical hardness and the discontinuity of the Kohn-Sham exchange-correlation potential
José L Gázquez, Jorge Garza, Fernando D Hinojosa, et al.
The Journal of Physical Chemistry. A
|
June 6, 2020
Temperature-Dependent Approach to Electronic Charge Transfer
Marco Franco-Pérez, José L Gázquez, Paul W Ayers, et al.
Journal of Chemical Theory and Computation
|
December 22, 2017
Thermodynamic Justification for the Parabolic Model for Reactivity Indicators with Respect to Electron Number and a Rigorous Definition for the Electrophilicity: The Essential Role Played by the Electronic Entropy
Marco Franco-Pérez, José L Gázquez, Paul W Ayers, et al.
The Journal of Chemical Physics
|
September 10, 2017
Thermodynamic responses of electronic systems
Marco Franco-Pérez, Paul W Ayers, José L Gázquez, et al.
Physical Chemistry Chemical Physics : PCCP
|
January 22, 2021
Spectroscopic properties of open shell diatomic molecules using Piris natural orbital functionals
Raúl Quintero-Monsebaiz, Luis Ignacio Perea-Ramírez, Mario Piris, et al.
The Journal of Physical Chemistry. A
|
January 25, 2020
Negative Electron Affinities and Derivative Discontinuity Contribution from a Generalized Gradient Approximation Exchange Functional
Javier Carmona-Espíndola, José L Gázquez, Alberto Vela, et al.
The Journal of Chemical Physics
|
January 3, 2016
Local and linear chemical reactivity response functions at finite temperature in density functional theory
Marco Franco-Pérez, Paul W Ayers, José L Gázquez, et al.
Page
of 7
Search research articles
Search
Showing results (21-30 of 67) with videos related to
Sort By:
Page
of 7
The Journal of Physical Chemistry. A
|
April 21, 2017
Global and Local Partitioning of the Charge Transferred in the Parr-Pearson Model
Angel Ulises Orozco-Valencia, José L Gázquez, Alberto Vela
Journal of Computational Chemistry
|
December 5, 2006
Recent advances in planar tetracoordinate carbon chemistry
Gabriel Merino, Miguel A Méndez-Rojas, Alberto Vela, et al.
The Journal of Physical Chemistry. B
|
December 18, 2012
Structural models for Cu(II) bound to the fragment 92-96 of the human prion protein
Rafael Grande-Aztatzi, Lina Rivillas-Acevedo, Liliana Quintanar, et al.
The Journal of Chemical Physics
|
June 15, 2007
Chemical hardness and the discontinuity of the Kohn-Sham exchange-correlation potential
José L Gázquez, Jorge Garza, Fernando D Hinojosa, et al.
The Journal of Physical Chemistry. A
|
June 6, 2020
Temperature-Dependent Approach to Electronic Charge Transfer
Marco Franco-Pérez, José L Gázquez, Paul W Ayers, et al.
Journal of Chemical Theory and Computation
|
December 22, 2017
Thermodynamic Justification for the Parabolic Model for Reactivity Indicators with Respect to Electron Number and a Rigorous Definition for the Electrophilicity: The Essential Role Played by the Electronic Entropy
Marco Franco-Pérez, José L Gázquez, Paul W Ayers, et al.
The Journal of Chemical Physics
|
September 10, 2017
Thermodynamic responses of electronic systems
Marco Franco-Pérez, Paul W Ayers, José L Gázquez, et al.
Physical Chemistry Chemical Physics : PCCP
|
January 22, 2021
Spectroscopic properties of open shell diatomic molecules using Piris natural orbital functionals
Raúl Quintero-Monsebaiz, Luis Ignacio Perea-Ramírez, Mario Piris, et al.
The Journal of Physical Chemistry. A
|
January 25, 2020
Negative Electron Affinities and Derivative Discontinuity Contribution from a Generalized Gradient Approximation Exchange Functional
Javier Carmona-Espíndola, José L Gázquez, Alberto Vela, et al.
The Journal of Chemical Physics
|
January 3, 2016
Local and linear chemical reactivity response functions at finite temperature in density functional theory
Marco Franco-Pérez, Paul W Ayers, José L Gázquez, et al.
Page
of 7