Search research articles
Contact Us
Filters
Showing results (11-20 of 22) with videos related to
Page
of 3
Sort By:
Journal of Chemical Theory and Computation
|
July 21, 2021
Perturbation Theory Treatment of Spin-Orbit Coupling, Part I: Double Perturbation Theory Based on a Single-Reference Initial Approximation
Jacques K Desmarais, Alessandro Erba, Jean-Pierre Flament, et al.
Journal of Chemical Theory and Computation
|
July 21, 2021
Perturbation Theory Treatment of Spin-Orbit Coupling II: A Coupled Perturbed Kohn-Sham Method
Jacques K Desmarais, Alessandro Erba, Jean-Pierre Flament, et al.
The Journal of Physical Chemistry. B
|
October 17, 2009
Vibrational modeling of copper-histamine complexes: metal-ligand IR modes investigation
Bertrand Xerri, Jean-Pierre Flament, Hugo Petitjean, et al.
Journal of Computational Chemistry
|
September 2, 2024
Fast vibrational analysis of molecular systems
Hugo Petitjean, Aude Giard, Jean-Pierre Flament, et al.
The Journal of Chemical Physics
|
November 26, 2009
Improvement of the ab initio embedded cluster method for luminescence properties of doped materials by taking into account impurity induced distortions: the example of Y2O3:Bi(3+)
Florent Réal, Belén Ordejón, Valérie Vallet, et al.
The Journal of Physical Chemistry. A
|
July 16, 2009
Multiconfiguration Dirac-Hartree-Fock adjusted energy-consistent pseudopotential for uranium: spin-orbit configuration interaction and Fock-space coupled-cluster study of U4+ and U5+
Anna Weigand, Xiaoyan Cao, Valérie Vallet, et al.
Journal of Chemical Theory and Computation
|
March 14, 2023
Perturbation Theory Treatment of Spin-Orbit Coupling. III: Coupled Perturbed Method for Solids
Jacques K Desmarais, Alberto Boccuni, Jean-Pierre Flament, et al.
The Journal of Physical Chemistry. B
|
November 13, 2010
Quantum chemical and molecular dynamics study of the coordination of Th(IV) in aqueous solvent
Florent Réal, Michael Trumm, Valérie Vallet, et al.
The Journal of Physical Chemistry. A
|
February 3, 2009
An ab initio theoretical study of the electronic structure of UO2(+) and [UO2(CO3)3]5-
Fernando Ruipérez, Cécile Danilo, Florent Réal, et al.
Journal of Chemical Theory and Computation
|
December 2, 2015
An Investigation of the Accuracy of Different DFT Functionals on the Water Exchange Reaction in Hydrated Uranyl(VI) in the Ground State and the First Excited State
Pernilla Wåhlin, Cécile Danilo, Valérie Vallet, et al.
Page
of 3
Search research articles
Search
Showing results (11-20 of 22) with videos related to
Sort By:
Page
of 3
Journal of Chemical Theory and Computation
|
July 21, 2021
Perturbation Theory Treatment of Spin-Orbit Coupling, Part I: Double Perturbation Theory Based on a Single-Reference Initial Approximation
Jacques K Desmarais, Alessandro Erba, Jean-Pierre Flament, et al.
Journal of Chemical Theory and Computation
|
July 21, 2021
Perturbation Theory Treatment of Spin-Orbit Coupling II: A Coupled Perturbed Kohn-Sham Method
Jacques K Desmarais, Alessandro Erba, Jean-Pierre Flament, et al.
The Journal of Physical Chemistry. B
|
October 17, 2009
Vibrational modeling of copper-histamine complexes: metal-ligand IR modes investigation
Bertrand Xerri, Jean-Pierre Flament, Hugo Petitjean, et al.
Journal of Computational Chemistry
|
September 2, 2024
Fast vibrational analysis of molecular systems
Hugo Petitjean, Aude Giard, Jean-Pierre Flament, et al.
The Journal of Chemical Physics
|
November 26, 2009
Improvement of the ab initio embedded cluster method for luminescence properties of doped materials by taking into account impurity induced distortions: the example of Y2O3:Bi(3+)
Florent Réal, Belén Ordejón, Valérie Vallet, et al.
The Journal of Physical Chemistry. A
|
July 16, 2009
Multiconfiguration Dirac-Hartree-Fock adjusted energy-consistent pseudopotential for uranium: spin-orbit configuration interaction and Fock-space coupled-cluster study of U4+ and U5+
Anna Weigand, Xiaoyan Cao, Valérie Vallet, et al.
Journal of Chemical Theory and Computation
|
March 14, 2023
Perturbation Theory Treatment of Spin-Orbit Coupling. III: Coupled Perturbed Method for Solids
Jacques K Desmarais, Alberto Boccuni, Jean-Pierre Flament, et al.
The Journal of Physical Chemistry. B
|
November 13, 2010
Quantum chemical and molecular dynamics study of the coordination of Th(IV) in aqueous solvent
Florent Réal, Michael Trumm, Valérie Vallet, et al.
The Journal of Physical Chemistry. A
|
February 3, 2009
An ab initio theoretical study of the electronic structure of UO2(+) and [UO2(CO3)3]5-
Fernando Ruipérez, Cécile Danilo, Florent Réal, et al.
Journal of Chemical Theory and Computation
|
December 2, 2015
An Investigation of the Accuracy of Different DFT Functionals on the Water Exchange Reaction in Hydrated Uranyl(VI) in the Ground State and the First Excited State
Pernilla Wåhlin, Cécile Danilo, Valérie Vallet, et al.
Page
of 3