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Inorganic Chemistry
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December 2, 2017
Structure and Bonding in Uranyl(VI) Peroxide and Crown Ether Complexes; Comparison of Quantum Chemical and Experimental Data
Valérie Vallet, Ingmar Grenthe
Journal of the American Chemical Society
|
December 3, 2003
Chelate effect and thermodynamics of metal complex formation in solution: a quantum chemical study
Valérie Vallet, Ulf Wahlgren, Ingmar Grenthe
Journal of Computational Chemistry
|
February 1, 2019
Improving the description of solvent pairwise interactions using local solute/solvent three-body functions. The case of halides and carboxylates in aqueous environment
Florent Réal, Valérie Vallet, Michel Masella
The Journal of Physical Chemistry. A
|
October 8, 2014
Theoretical study of plutonium(IV) complexes formed within the PUREX process: a proposal of a plutonium surrogate in fire conditions
Martin Šulka, Laurent Cantrel, Valérie Vallet
The Journal of Physical Chemistry. A
|
November 16, 2012
Probing the nature of chemical bonding in uranyl(VI) complexes with quantum chemical methods
Valérie Vallet, Ulf Wahlgren, Ingmar Grenthe
Dalton Transactions (Cambridge, England : 2003)
|
November 13, 2004
Experimental and quantum chemical studies of structure and reaction mechanisms of dioxouranium(VI) complexes in solution
Valérie Vallet, Zoltán Szabó, Ingmar Grenthe
The Journal of Chemical Physics
|
May 20, 2006
Investigation of the dynamics of two coupled oscillators with mixed quantum-classical methods
Jingrui Li, Clemens Woywod, Valérie Vallet, et al.
Journal of the American Chemical Society
|
August 9, 2008
Ab initio study of the mechanism for photoinduced Yl-oxygen exchange in uranyl(VI) in acidic aqueous solution
Florent Réal, Valérie Vallet, Ulf Wahlgren, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
January 19, 2024
Stability of the Protactinium(V) Mono-Oxo Cation Probed by First-Principle Calculations
Tamara Shaaban, Florent Réal, Rémi Maurice, et al.
The Journal of Chemical Physics
|
December 11, 2007
Theoretical investigation of the energies and geometries of photoexcited uranyl(VI) ion: a comparison between wave-function theory and density functional theory
Florent Réal, Valérie Vallet, Christel Marian, et al.
Page
of 9
Search research articles
Search
Showing results (1-10 of 85) with videos related to
Sort By:
Page
of 9
Inorganic Chemistry
|
December 2, 2017
Structure and Bonding in Uranyl(VI) Peroxide and Crown Ether Complexes; Comparison of Quantum Chemical and Experimental Data
Valérie Vallet, Ingmar Grenthe
Journal of the American Chemical Society
|
December 3, 2003
Chelate effect and thermodynamics of metal complex formation in solution: a quantum chemical study
Valérie Vallet, Ulf Wahlgren, Ingmar Grenthe
Journal of Computational Chemistry
|
February 1, 2019
Improving the description of solvent pairwise interactions using local solute/solvent three-body functions. The case of halides and carboxylates in aqueous environment
Florent Réal, Valérie Vallet, Michel Masella
The Journal of Physical Chemistry. A
|
October 8, 2014
Theoretical study of plutonium(IV) complexes formed within the PUREX process: a proposal of a plutonium surrogate in fire conditions
Martin Šulka, Laurent Cantrel, Valérie Vallet
The Journal of Physical Chemistry. A
|
November 16, 2012
Probing the nature of chemical bonding in uranyl(VI) complexes with quantum chemical methods
Valérie Vallet, Ulf Wahlgren, Ingmar Grenthe
Dalton Transactions (Cambridge, England : 2003)
|
November 13, 2004
Experimental and quantum chemical studies of structure and reaction mechanisms of dioxouranium(VI) complexes in solution
Valérie Vallet, Zoltán Szabó, Ingmar Grenthe
The Journal of Chemical Physics
|
May 20, 2006
Investigation of the dynamics of two coupled oscillators with mixed quantum-classical methods
Jingrui Li, Clemens Woywod, Valérie Vallet, et al.
Journal of the American Chemical Society
|
August 9, 2008
Ab initio study of the mechanism for photoinduced Yl-oxygen exchange in uranyl(VI) in acidic aqueous solution
Florent Réal, Valérie Vallet, Ulf Wahlgren, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
January 19, 2024
Stability of the Protactinium(V) Mono-Oxo Cation Probed by First-Principle Calculations
Tamara Shaaban, Florent Réal, Rémi Maurice, et al.
The Journal of Chemical Physics
|
December 11, 2007
Theoretical investigation of the energies and geometries of photoexcited uranyl(VI) ion: a comparison between wave-function theory and density functional theory
Florent Réal, Valérie Vallet, Christel Marian, et al.
Page
of 9