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The Journal of Chemical Physics
|
March 17, 2016
Insight into the Li2CO3-K2CO3 eutectic mixture from classical molecular dynamics: Thermodynamics, structure, and dynamics
Dario Corradini, François-Xavier Coudert, Rodolphe Vuilleumier
The Journal of Physical Chemistry. A
|
July 3, 2008
Hydrated electron production by reaction of hydrogen atoms with hydroxide ions: a first-principles molecular dynamics study
Jean Philippe Renault, Rodolphe Vuilleumier, Stanislas Pommeret
Nature Chemistry
|
April 23, 2016
Carbon dioxide transport in molten calcium carbonate occurs through an oxo-Grotthuss mechanism via a pyrocarbonate anion
Dario Corradini, François-Xavier Coudert, Rodolphe Vuilleumier
The Journal of Chemical Physics
|
February 16, 2015
Maximum probability domains for the analysis of the microscopic structure of liquids
Federica Agostini, Giovanni Ciccotti, Andreas Savin, et al.
The Journal of Chemical Physics
|
January 7, 2005
Density functional calculation of the electronic absorption spectrum of Cu+ and Ag+ aqua ions
Leonardo Bernasconi, Jochen Blumberger, Michiel Sprik, et al.
The Journal of Physical Chemistry Letters
|
August 19, 2015
Molecular Density Functional Theory of Water
Guillaume Jeanmairet, Maximilien Levesque, Rodolphe Vuilleumier, et al.
Physical Review Letters
|
December 20, 2003
Molecular dynamics simulations of a silver atom in water: evidence for a dipolar excitonic state
Riccardo Spezia, Cédric Nicolas, Anne Boutin, et al.
The Journal of Chemical Physics
|
June 10, 2019
The MgCO<sub>3</sub>-CaCO<sub>3</sub>-Li<sub>2</sub>CO<sub>3</sub>-Na<sub>2</sub>CO<sub>3</sub>-K<sub>2</sub>CO<sub>3</sub> melts: Thermodynamics and transport properties by atomistic simulations
Elsa Desmaele, Nicolas Sator, Rodolphe Vuilleumier, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
May 17, 2017
Ca<sup>2+</sup> -Cl<sup>-</sup> Association in Water Revisited: the Role of Cation Hydration
Mathieu Salanne, Sami Tazi, Rodolphe Vuilleumier, et al.
Angewandte Chemie (International Ed. in English)
|
July 14, 2018
Chiral Crystal Packing Induces Enhancement of Vibrational Circular Dichroism
Sascha Jähnigen, Arne Scherrer, Rodolphe Vuilleumier, et al.
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Search research articles
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Showing results (21-30 of 92) with videos related to
Sort By:
Page
of 10
The Journal of Chemical Physics
|
March 17, 2016
Insight into the Li2CO3-K2CO3 eutectic mixture from classical molecular dynamics: Thermodynamics, structure, and dynamics
Dario Corradini, François-Xavier Coudert, Rodolphe Vuilleumier
The Journal of Physical Chemistry. A
|
July 3, 2008
Hydrated electron production by reaction of hydrogen atoms with hydroxide ions: a first-principles molecular dynamics study
Jean Philippe Renault, Rodolphe Vuilleumier, Stanislas Pommeret
Nature Chemistry
|
April 23, 2016
Carbon dioxide transport in molten calcium carbonate occurs through an oxo-Grotthuss mechanism via a pyrocarbonate anion
Dario Corradini, François-Xavier Coudert, Rodolphe Vuilleumier
The Journal of Chemical Physics
|
February 16, 2015
Maximum probability domains for the analysis of the microscopic structure of liquids
Federica Agostini, Giovanni Ciccotti, Andreas Savin, et al.
The Journal of Chemical Physics
|
January 7, 2005
Density functional calculation of the electronic absorption spectrum of Cu+ and Ag+ aqua ions
Leonardo Bernasconi, Jochen Blumberger, Michiel Sprik, et al.
The Journal of Physical Chemistry Letters
|
August 19, 2015
Molecular Density Functional Theory of Water
Guillaume Jeanmairet, Maximilien Levesque, Rodolphe Vuilleumier, et al.
Physical Review Letters
|
December 20, 2003
Molecular dynamics simulations of a silver atom in water: evidence for a dipolar excitonic state
Riccardo Spezia, Cédric Nicolas, Anne Boutin, et al.
The Journal of Chemical Physics
|
June 10, 2019
The MgCO<sub>3</sub>-CaCO<sub>3</sub>-Li<sub>2</sub>CO<sub>3</sub>-Na<sub>2</sub>CO<sub>3</sub>-K<sub>2</sub>CO<sub>3</sub> melts: Thermodynamics and transport properties by atomistic simulations
Elsa Desmaele, Nicolas Sator, Rodolphe Vuilleumier, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
May 17, 2017
Ca<sup>2+</sup> -Cl<sup>-</sup> Association in Water Revisited: the Role of Cation Hydration
Mathieu Salanne, Sami Tazi, Rodolphe Vuilleumier, et al.
Angewandte Chemie (International Ed. in English)
|
July 14, 2018
Chiral Crystal Packing Induces Enhancement of Vibrational Circular Dichroism
Sascha Jähnigen, Arne Scherrer, Rodolphe Vuilleumier, et al.
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of 10