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Nature Chemistry
|
May 23, 2012
Proton conduction: hopping along hydrogen bonds
Rodolphe Vuilleumier, Daniel Borgis
Inorganic Chemistry
|
August 30, 2008
Mechanisms of the water-gas-shift reaction by iron pentacarbonyl in the gas phase
Xavier Rozanska, Rodolphe Vuilleumier
The Journal of Chemical Physics
|
September 10, 2017
Microscopic flow around a diffusing particle
Dominika 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 solution
Sascha 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 spectroscopy
Marie 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 dynamics
Aurélie Lasoroski, Rodolphe Vuilleumier, Rodolphe Pollet
Physical Review Letters
|
June 13, 2002
Ab initio molecular dynamics for molecules with variable numbers of electrons
Ivano Tavernelli, Rodolphe Vuilleumier, Michiel Sprik
Journal of Cheminformatics
|
April 2, 2022
Explaining and avoiding failure modes in goal-directed generation of small molecules
Maxime 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 water
Riccardo 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 solvation
Maximilien Levesque, Rodolphe Vuilleumier, Daniel Borgis
Page
of 10
Search research articles
Search
Showing results (1-10 of 92) with videos related to
Sort By:
Page
of 10
Nature Chemistry
|
May 23, 2012
Proton conduction: hopping along hydrogen bonds
Rodolphe Vuilleumier, Daniel Borgis
Inorganic Chemistry
|
August 30, 2008
Mechanisms of the water-gas-shift reaction by iron pentacarbonyl in the gas phase
Xavier Rozanska, Rodolphe Vuilleumier
The Journal of Chemical Physics
|
September 10, 2017
Microscopic flow around a diffusing particle
Dominika 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 solution
Sascha 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 spectroscopy
Marie 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 dynamics
Aurélie Lasoroski, Rodolphe Vuilleumier, Rodolphe Pollet
Physical Review Letters
|
June 13, 2002
Ab initio molecular dynamics for molecules with variable numbers of electrons
Ivano Tavernelli, Rodolphe Vuilleumier, Michiel Sprik
Journal of Cheminformatics
|
April 2, 2022
Explaining and avoiding failure modes in goal-directed generation of small molecules
Maxime 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 water
Riccardo 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 solvation
Maximilien Levesque, Rodolphe Vuilleumier, Daniel Borgis
Page
of 10