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The Journal of Chemical Physics
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July 12, 2012
The vibrational structure of the oxygen K-shell spectra in acenaphthenequinones: an ab initio study
Denis Duflot, Jean-Pierre Flament
The Journal of Chemical Physics
|
August 24, 2019
Spin-orbit coupling from a two-component self-consistent approach. II. Non-collinear density functional theories
Jacques K Desmarais, Jean-Pierre Flament, Alessandro Erba
The Journal of Chemical Physics
|
August 24, 2019
Spin-orbit coupling from a two-component self-consistent approach. I. Generalized Hartree-Fock theory
Jacques K Desmarais, Jean-Pierre Flament, Alessandro Erba
The Journal of Physical Chemistry Letters
|
June 13, 2019
Fundamental Role of Fock Exchange in Relativistic Density Functional Theory
Jacques K Desmarais, Jean-Pierre Flament, Alessandro Erba
The Journal of Chemical Physics
|
April 25, 2008
Spin-orbit configuration interaction study of the electronic structure of the 5f (2) manifold of U(4+) and the 5f manifold of U(5+)
Cécile Danilo, Valérie Vallet, Jean-Pierre Flament, et al.
The Journal of Chemical Physics
|
November 15, 2006
Ab initio study of a Bi3+ impurity in Cs2NaYCl6 and Y2O3: comparison of perturbative and variational electron correlation methods
Florent Réal, Valérie Vallet, Jean-Pierre Flament, et al.
The Journal of Chemical Physics
|
September 28, 2013
Revisiting a many-body model for water based on a single polarizable site: from gas phase clusters to liquid and air/liquid water systems
Florent Réal, Valérie Vallet, Jean-Pierre Flament, et al.
The Journal of Chemical Physics
|
September 18, 2007
Ab initio embedded cluster study of the excitation spectrum and Stokes shifts of Bi3+-doped Y2O3
Florent Réal, Valérie Vallet, Jean-Pierre Flament, et al.
Physical Chemistry Chemical Physics : PCCP
|
January 23, 2010
Effects of the first hydration sphere and the bulk solvent on the spectra of the f(2) isoelectronic actinide compounds: U(4+), NpO(2)(+), and PuO(2)(2+)
Cécile Danilo, Valérie Vallet, Jean-Pierre Flament, et al.
The Journal of Chemical Physics
|
July 9, 2021
Spin-orbit coupling from a two-component self-consistent approach. II. Non-collinear density functional theories
Jacques K Desmarais, Stanislav Komorovsky, Jean-Pierre Flament, et al.
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of 3
Search research articles
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Showing results (1-10 of 22) with videos related to
Sort By:
Page
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The Journal of Chemical Physics
|
July 12, 2012
The vibrational structure of the oxygen K-shell spectra in acenaphthenequinones: an ab initio study
Denis Duflot, Jean-Pierre Flament
The Journal of Chemical Physics
|
August 24, 2019
Spin-orbit coupling from a two-component self-consistent approach. II. Non-collinear density functional theories
Jacques K Desmarais, Jean-Pierre Flament, Alessandro Erba
The Journal of Chemical Physics
|
August 24, 2019
Spin-orbit coupling from a two-component self-consistent approach. I. Generalized Hartree-Fock theory
Jacques K Desmarais, Jean-Pierre Flament, Alessandro Erba
The Journal of Physical Chemistry Letters
|
June 13, 2019
Fundamental Role of Fock Exchange in Relativistic Density Functional Theory
Jacques K Desmarais, Jean-Pierre Flament, Alessandro Erba
The Journal of Chemical Physics
|
April 25, 2008
Spin-orbit configuration interaction study of the electronic structure of the 5f (2) manifold of U(4+) and the 5f manifold of U(5+)
Cécile Danilo, Valérie Vallet, Jean-Pierre Flament, et al.
The Journal of Chemical Physics
|
November 15, 2006
Ab initio study of a Bi3+ impurity in Cs2NaYCl6 and Y2O3: comparison of perturbative and variational electron correlation methods
Florent Réal, Valérie Vallet, Jean-Pierre Flament, et al.
The Journal of Chemical Physics
|
September 28, 2013
Revisiting a many-body model for water based on a single polarizable site: from gas phase clusters to liquid and air/liquid water systems
Florent Réal, Valérie Vallet, Jean-Pierre Flament, et al.
The Journal of Chemical Physics
|
September 18, 2007
Ab initio embedded cluster study of the excitation spectrum and Stokes shifts of Bi3+-doped Y2O3
Florent Réal, Valérie Vallet, Jean-Pierre Flament, et al.
Physical Chemistry Chemical Physics : PCCP
|
January 23, 2010
Effects of the first hydration sphere and the bulk solvent on the spectra of the f(2) isoelectronic actinide compounds: U(4+), NpO(2)(+), and PuO(2)(2+)
Cécile Danilo, Valérie Vallet, Jean-Pierre Flament, et al.
The Journal of Chemical Physics
|
July 9, 2021
Spin-orbit coupling from a two-component self-consistent approach. II. Non-collinear density functional theories
Jacques K Desmarais, Stanislav Komorovsky, Jean-Pierre Flament, et al.
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of 3