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The Journal of Chemical Physics
|
September 9, 2004
Can density functional methods be used for open-shell actinide molecules? Comparison with multiconfigurational spin-orbit studies
Carine Clavaguéra-Sarrio, Valérie Vallet, Daniel Maynau, et al.
The Journal of Chemical Physics
|
November 10, 2019
Ion hydration free energies and water surface potential in water nano drops: The cluster pair approximation and the proton hydration Gibbs free energy in solution
Céline Houriez, Florent Réal, Valérie Vallet, et al.
Physical Chemistry Chemical Physics : PCCP
|
March 24, 2023
Coordination and thermodynamic properties of aqueous protactinium(V) by first-principle calculations
Hanna Oher, Jérémy Delafoulhouze, Eric Renault, et al.
Journal of Computational Chemistry
|
December 13, 2012
Further insights in the ability of classical nonadditive potentials to model actinide ion-water interactions
Florent Réal, Michael Trumm, Bernd Schimmelpfennig, et al.
The Journal of Physical Chemistry. A
|
April 24, 2015
Thermodynamic properties of gaseous ruthenium species
Faoulat Miradji, Sidi Souvi, Laurent Cantrel, et al.
Chemical Communications (Cambridge, England)
|
October 11, 2022
Hexanitrato complexes and hybrid double perovskites of Am<sup>3+</sup> and Cm<sup>3</sup>
Michael L Tarlton, Suntharalingam Skanthakumar, Valérie Vallet, et al.
Inorganic Chemistry
|
March 18, 2003
Structure and bonding in solution of dioxouranium(VI) oxalate complexes: isomers and intramolecular ligand exchange
Valérie Vallet, Henry Moll, Ulf Wahlgren, et al.
Physical Chemistry Chemical Physics : PCCP
|
September 4, 2023
Excited states of polonium(IV): electron correlation and spin-orbit coupling in the Po<sup>4+</sup> free ion and in the bare and solvated [PoCl<sub>5</sub>]<sup>-</sup> and [PoCl<sub>6</sub>]<sup>2-</sup> complexes
Nadiya Zhutova, Florent Réal, Eric Renault, et al.
Physical Chemistry Chemical Physics : PCCP
|
January 13, 2021
Insights from quantum chemical calculations into inner and outer-sphere complexation of plutonium(IV) by monoamide and carbamide extractants
Abdelmounaim Failali, Eléonor Acher, Valérie Vallet, et al.
The Journal of Chemical Physics
|
October 22, 2005
Photochemistry of pyrrole: time-dependent quantum wave-packet description of the dynamics at the 1pi sigma*-S0 conical intersections
Valérie Vallet, Zhenggang Lan, Susanta Mahapatra, et al.
Page
of 9
Search research articles
Search
Showing results (31-40 of 85) with videos related to
Sort By:
Page
of 9
The Journal of Chemical Physics
|
September 9, 2004
Can density functional methods be used for open-shell actinide molecules? Comparison with multiconfigurational spin-orbit studies
Carine Clavaguéra-Sarrio, Valérie Vallet, Daniel Maynau, et al.
The Journal of Chemical Physics
|
November 10, 2019
Ion hydration free energies and water surface potential in water nano drops: The cluster pair approximation and the proton hydration Gibbs free energy in solution
Céline Houriez, Florent Réal, Valérie Vallet, et al.
Physical Chemistry Chemical Physics : PCCP
|
March 24, 2023
Coordination and thermodynamic properties of aqueous protactinium(V) by first-principle calculations
Hanna Oher, Jérémy Delafoulhouze, Eric Renault, et al.
Journal of Computational Chemistry
|
December 13, 2012
Further insights in the ability of classical nonadditive potentials to model actinide ion-water interactions
Florent Réal, Michael Trumm, Bernd Schimmelpfennig, et al.
The Journal of Physical Chemistry. A
|
April 24, 2015
Thermodynamic properties of gaseous ruthenium species
Faoulat Miradji, Sidi Souvi, Laurent Cantrel, et al.
Chemical Communications (Cambridge, England)
|
October 11, 2022
Hexanitrato complexes and hybrid double perovskites of Am<sup>3+</sup> and Cm<sup>3</sup>
Michael L Tarlton, Suntharalingam Skanthakumar, Valérie Vallet, et al.
Inorganic Chemistry
|
March 18, 2003
Structure and bonding in solution of dioxouranium(VI) oxalate complexes: isomers and intramolecular ligand exchange
Valérie Vallet, Henry Moll, Ulf Wahlgren, et al.
Physical Chemistry Chemical Physics : PCCP
|
September 4, 2023
Excited states of polonium(IV): electron correlation and spin-orbit coupling in the Po<sup>4+</sup> free ion and in the bare and solvated [PoCl<sub>5</sub>]<sup>-</sup> and [PoCl<sub>6</sub>]<sup>2-</sup> complexes
Nadiya Zhutova, Florent Réal, Eric Renault, et al.
Physical Chemistry Chemical Physics : PCCP
|
January 13, 2021
Insights from quantum chemical calculations into inner and outer-sphere complexation of plutonium(IV) by monoamide and carbamide extractants
Abdelmounaim Failali, Eléonor Acher, Valérie Vallet, et al.
The Journal of Chemical Physics
|
October 22, 2005
Photochemistry of pyrrole: time-dependent quantum wave-packet description of the dynamics at the 1pi sigma*-S0 conical intersections
Valérie Vallet, Zhenggang Lan, Susanta Mahapatra, et al.
Page
of 9