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Rodolphe Vuilleumier

Showing results (1-10 of 92) with videos related to

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Nature Chemistry|May 23, 2012
Proton conduction: hopping along hydrogen bondsRodolphe Vuilleumier, Daniel Borgis
Inorganic Chemistry|August 30, 2008
Mechanisms of the water-gas-shift reaction by iron pentacarbonyl in the gas phaseXavier Rozanska, Rodolphe Vuilleumier
The Journal of Chemical Physics|September 10, 2017
Microscopic flow around a diffusing particleDominika Lesnicki, Rodolphe Vuilleumier
Physical Chemistry Chemical Physics : PCCP|August 9, 2021
The important role of non-covalent interactions for the vibrational circular dichroism of lactic acid in aqueous solutionSascha Jähnigen, Daniel Sebastiani, Rodolphe Vuilleumier
Physical Chemistry Chemical Physics : PCCP|June 21, 2013
Computing Wigner distributions and time correlation functions using the quantum thermal bath method: application to proton transfer spectroscopyMarie Basire, Daniel Borgis, Rodolphe Vuilleumier
The Journal of Chemical Physics|July 10, 2014
Vibrational dynamics of zero-field-splitting hamiltonian in gadolinium-based MRI contrast agents from ab initio molecular dynamicsAurélie Lasoroski, Rodolphe Vuilleumier, Rodolphe Pollet
Physical Review Letters|June 13, 2002
Ab initio molecular dynamics for molecules with variable numbers of electronsIvano Tavernelli, Rodolphe Vuilleumier, Michiel Sprik
Journal of Cheminformatics|April 2, 2022
Explaining and avoiding failure modes in goal-directed generation of small moleculesMaxime Langevin, Rodolphe Vuilleumier, Marc Bianciotto
Journal of Molecular Modeling|August 4, 2014
Developing polarizable potential for molecular dynamics of Cm(III)-carbonate complexes in liquid waterRiccardo Spezia, Yannick Jeanvoine, Rodolphe Vuilleumier
The Journal of Chemical Physics|July 27, 2012
Scalar fundamental measure theory for hard spheres in three dimensions: application to hydrophobic solvationMaximilien Levesque, Rodolphe Vuilleumier, Daniel Borgis
Pageof 10

Showing results (1-10 of 92) with videos related to

Sort By:
Pageof 10
Nature Chemistry|May 23, 2012
Proton conduction: hopping along hydrogen bondsRodolphe Vuilleumier, Daniel Borgis
Inorganic Chemistry|August 30, 2008
Mechanisms of the water-gas-shift reaction by iron pentacarbonyl in the gas phaseXavier Rozanska, Rodolphe Vuilleumier
The Journal of Chemical Physics|September 10, 2017
Microscopic flow around a diffusing particleDominika Lesnicki, Rodolphe Vuilleumier
Physical Chemistry Chemical Physics : PCCP|August 9, 2021
The important role of non-covalent interactions for the vibrational circular dichroism of lactic acid in aqueous solutionSascha Jähnigen, Daniel Sebastiani, Rodolphe Vuilleumier
Physical Chemistry Chemical Physics : PCCP|June 21, 2013
Computing Wigner distributions and time correlation functions using the quantum thermal bath method: application to proton transfer spectroscopyMarie Basire, Daniel Borgis, Rodolphe Vuilleumier
The Journal of Chemical Physics|July 10, 2014
Vibrational dynamics of zero-field-splitting hamiltonian in gadolinium-based MRI contrast agents from ab initio molecular dynamicsAurélie Lasoroski, Rodolphe Vuilleumier, Rodolphe Pollet
Physical Review Letters|June 13, 2002
Ab initio molecular dynamics for molecules with variable numbers of electronsIvano Tavernelli, Rodolphe Vuilleumier, Michiel Sprik
Journal of Cheminformatics|April 2, 2022
Explaining and avoiding failure modes in goal-directed generation of small moleculesMaxime Langevin, Rodolphe Vuilleumier, Marc Bianciotto
Journal of Molecular Modeling|August 4, 2014
Developing polarizable potential for molecular dynamics of Cm(III)-carbonate complexes in liquid waterRiccardo Spezia, Yannick Jeanvoine, Rodolphe Vuilleumier
The Journal of Chemical Physics|July 27, 2012
Scalar fundamental measure theory for hard spheres in three dimensions: application to hydrophobic solvationMaximilien Levesque, Rodolphe Vuilleumier, Daniel Borgis
Pageof 10