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Roger Rousseau

Showing results (21-30 of 102) with videos related to

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The Journal of Chemical Physics|August 3, 2021
The role of sub-surface hydrogen on CO<sub>2</sub> reduction and dynamics on Ni(110): An ab initio molecular dynamics studySarah I Allec, Manh-Thuong Nguyen, Roger Rousseau, et al.
Physical Review Letters|June 4, 2008
Mixed threefold and fourfold carbon coordination in compressed CO2Javier A Montoya, Roger Rousseau, Mario Santoro, et al.
Inorganic Chemistry|February 7, 2019
Molecular Simulation of the Catalytic Regeneration of <sup>n</sup>BuLi through a Hydrometalation RouteMal-Soon Lee, Vassiliki-Alexandra Glezakou, Roger Rousseau, et al.
Physical Chemistry Chemical Physics : PCCP|June 17, 2010
Structure, dynamics and vibrational spectrum of supercritical CO2/H2O mixtures from ab initio molecular dynamics as a function of water cluster formationVassiliki-Alexandra Glezakou, Roger Rousseau, Liem X Dang, et al.
The Journal of Physical Chemistry. A|February 1, 2017
Trends in Homolytic Bond Dissociation Energies of Five- and Six-Coordinate Hydrides of Group 9 Transition Metals: Co, Rh, IrVassiliki-Alexandra Glezakou, Roger Rousseau, Stephen T Elbert, et al.
The Journal of Physical Chemistry. A|November 13, 2010
Homogeneous Ni catalysts for H2 oxidation and production: an assessment of theoretical methods, from density functional theory to post Hartree-Fock correlated wave-function theoryShentan Chen, Simone Raugei, Roger Rousseau, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|September 7, 2005
Dimerization of CO2 at high pressure and temperatureFrancesco Tassone, Guido L Chiarotti, Roger Rousseau, et al.
Inorganic Chemistry|October 24, 2001
Origin of the Metal-to-Insulator Transition in H(0.33)MoO(3)Roger Rousseau, Enric Canadell, Pere Alemany, et al.
Scientific Reports|October 13, 2015
Structure, dynamics and stability of water/scCO2/mineral interfaces from ab initio molecular dynamics simulationsMal-Soon Lee, B Peter McGrail, Roger Rousseau, et al.
Journal of Chemical Theory and Computation|November 20, 2015
Evaluation of the Role of Water in the H2 Bond Formation by Ni(II)-Based ElectrocatalystsMing-Hsun Ho, Simone Raugei, Roger Rousseau, et al.
Pageof 11

Showing results (21-30 of 102) with videos related to

Sort By:
Pageof 11
The Journal of Chemical Physics|August 3, 2021
The role of sub-surface hydrogen on CO<sub>2</sub> reduction and dynamics on Ni(110): An ab initio molecular dynamics studySarah I Allec, Manh-Thuong Nguyen, Roger Rousseau, et al.
Physical Review Letters|June 4, 2008
Mixed threefold and fourfold carbon coordination in compressed CO2Javier A Montoya, Roger Rousseau, Mario Santoro, et al.
Inorganic Chemistry|February 7, 2019
Molecular Simulation of the Catalytic Regeneration of <sup>n</sup>BuLi through a Hydrometalation RouteMal-Soon Lee, Vassiliki-Alexandra Glezakou, Roger Rousseau, et al.
Physical Chemistry Chemical Physics : PCCP|June 17, 2010
Structure, dynamics and vibrational spectrum of supercritical CO2/H2O mixtures from ab initio molecular dynamics as a function of water cluster formationVassiliki-Alexandra Glezakou, Roger Rousseau, Liem X Dang, et al.
The Journal of Physical Chemistry. A|February 1, 2017
Trends in Homolytic Bond Dissociation Energies of Five- and Six-Coordinate Hydrides of Group 9 Transition Metals: Co, Rh, IrVassiliki-Alexandra Glezakou, Roger Rousseau, Stephen T Elbert, et al.
The Journal of Physical Chemistry. A|November 13, 2010
Homogeneous Ni catalysts for H2 oxidation and production: an assessment of theoretical methods, from density functional theory to post Hartree-Fock correlated wave-function theoryShentan Chen, Simone Raugei, Roger Rousseau, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|September 7, 2005
Dimerization of CO2 at high pressure and temperatureFrancesco Tassone, Guido L Chiarotti, Roger Rousseau, et al.
Inorganic Chemistry|October 24, 2001
Origin of the Metal-to-Insulator Transition in H(0.33)MoO(3)Roger Rousseau, Enric Canadell, Pere Alemany, et al.
Scientific Reports|October 13, 2015
Structure, dynamics and stability of water/scCO2/mineral interfaces from ab initio molecular dynamics simulationsMal-Soon Lee, B Peter McGrail, Roger Rousseau, et al.
Journal of Chemical Theory and Computation|November 20, 2015
Evaluation of the Role of Water in the H2 Bond Formation by Ni(II)-Based ElectrocatalystsMing-Hsun Ho, Simone Raugei, Roger Rousseau, et al.
Pageof 11