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The Journal of Chemical Physics
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July 16, 2008
Predictive first-principles simulations of strain-induced phenomena at water-silica nanotube interfaces
Yao He, Chao Cao, S B Trickey, et al.
Nature
|
December 16, 2021
On the liquid-liquid phase transition of dense hydrogen
Valentin V Karasiev, Joshua Hinz, S X Hu, 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 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.
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
|
July 27, 2012
Scalable properties of metal clusters: a comparative study of modern exchange-correlation functionals
Ralph Koitz, Thomas M Soini, Alexander Genest, et al.
The Journal of Chemical Physics
|
June 16, 2023
All-electron APW+lo calculation of magnetic molecules with the SIRIUS domain-specific package
Long Zhang, Anton Kozhevnikov, Thomas Schulthess, 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.
The Journal of Chemical Physics
|
October 15, 2022
Publisher's Note: "Hardness of molecules and bandgap of solids from a generalized gradient approximation exchange energy functional" [J. Chem. Phys. 157, 114109 (2022)]
Javier Carmona-Espíndola, Anaid Flores, José L Gázquez, et al.
The Journal of Chemical Physics
|
September 22, 2022
Hardness of molecules and bandgap of solids from a generalized gradient approximation exchange energy functional
Javier Carmona-Espíndola, Anaid Flores, José L Gázquez, et al.
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of 4
Search research articles
Search
Showing results (21-30 of 35) with videos related to
Sort By:
Page
of 4
The Journal of Chemical Physics
|
July 16, 2008
Predictive first-principles simulations of strain-induced phenomena at water-silica nanotube interfaces
Yao He, Chao Cao, S B Trickey, et al.
Nature
|
December 16, 2021
On the liquid-liquid phase transition of dense hydrogen
Valentin V Karasiev, Joshua Hinz, S X Hu, 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 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.
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
|
July 27, 2012
Scalable properties of metal clusters: a comparative study of modern exchange-correlation functionals
Ralph Koitz, Thomas M Soini, Alexander Genest, et al.
The Journal of Chemical Physics
|
June 16, 2023
All-electron APW+lo calculation of magnetic molecules with the SIRIUS domain-specific package
Long Zhang, Anton Kozhevnikov, Thomas Schulthess, 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.
The Journal of Chemical Physics
|
October 15, 2022
Publisher's Note: "Hardness of molecules and bandgap of solids from a generalized gradient approximation exchange energy functional" [J. Chem. Phys. 157, 114109 (2022)]
Javier Carmona-Espíndola, Anaid Flores, José L Gázquez, et al.
The Journal of Chemical Physics
|
September 22, 2022
Hardness of molecules and bandgap of solids from a generalized gradient approximation exchange energy functional
Javier Carmona-Espíndola, Anaid Flores, José L Gázquez, et al.
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of 4