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M A Robb

Showing results (1-10 of 9) with videos related to

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Physical Chemistry Chemical Physics : PCCP|November 25, 2010
Quantum molecular dynamics and controlH H Fielding, M A Robb
Physical Chemistry Chemical Physics : PCCP|June 21, 2007
Direct quantum dynamics using variational multi-configuration Gaussian wavepackets. Implementation details and test caseB Lasorne, M A Robb, G A Worth
Faraday Discussions|October 9, 2004
A novel algorithm for non-adiabatic direct dynamics using variational Gaussian wavepacketsG A Worth, M A Robb, I Burghardt
Journal of the American Chemical Society|July 18, 2001
Potential energy surface crossings and the mechanistic spectrum for intramolecular electron transfer in organic radical cationsL Blancafort, F Jolibois, M Olivucci, et al.
Proceedings of the National Academy of Sciences of the United States of America|August 16, 2000
Computational evidence in favor of a two-state, two-mode model of the retinal chromophore photoisomerizationR González-Luque, M Garavelli, F Bernardi, et al.
Journal of the American Chemical Society|December 14, 2011
Do supra-antara paths really exist for 2 + 2 cycloaddition reactions? Analytical computation of the MC-SCF Hessians for transition states of ethylene with ethylene, singlet oxygen, and keteneF Bernardi, A Bottoni, M Olivucci, et al.
The Journal of Organic Chemistry|December 26, 2001
The T(1) (3)(pi-pi*)/S(0) intersections and triplet lifetimes of cyclic alpha,beta-enonesE García-Expósito, M J Bearpark, R M Ortuño, et al.
Physical Chemistry Chemical Physics : PCCP|November 12, 2010
Ultrafast dynamics through conical intersections and intramolecular vibrational energy redistribution in styreneA D G Nunn, R S Minns, R Spesyvtsev, et al.
Inorganic Chemistry|January 22, 2010
First-principles bottom-up study of 1D to 3D magnetic transformation in the copper pyrazine dinitrate S = (1)/(2) antiferromagnetic crystalJ Jornet-Somoza, M Deumal, M A Robb, et al.
Pageof 1

Showing results (1-10 of 9) with videos related to

Sort By:
Pageof 1
Physical Chemistry Chemical Physics : PCCP|November 25, 2010
Quantum molecular dynamics and controlH H Fielding, M A Robb
Physical Chemistry Chemical Physics : PCCP|June 21, 2007
Direct quantum dynamics using variational multi-configuration Gaussian wavepackets. Implementation details and test caseB Lasorne, M A Robb, G A Worth
Faraday Discussions|October 9, 2004
A novel algorithm for non-adiabatic direct dynamics using variational Gaussian wavepacketsG A Worth, M A Robb, I Burghardt
Journal of the American Chemical Society|July 18, 2001
Potential energy surface crossings and the mechanistic spectrum for intramolecular electron transfer in organic radical cationsL Blancafort, F Jolibois, M Olivucci, et al.
Proceedings of the National Academy of Sciences of the United States of America|August 16, 2000
Computational evidence in favor of a two-state, two-mode model of the retinal chromophore photoisomerizationR González-Luque, M Garavelli, F Bernardi, et al.
Journal of the American Chemical Society|December 14, 2011
Do supra-antara paths really exist for 2 + 2 cycloaddition reactions? Analytical computation of the MC-SCF Hessians for transition states of ethylene with ethylene, singlet oxygen, and keteneF Bernardi, A Bottoni, M Olivucci, et al.
The Journal of Organic Chemistry|December 26, 2001
The T(1) (3)(pi-pi*)/S(0) intersections and triplet lifetimes of cyclic alpha,beta-enonesE García-Expósito, M J Bearpark, R M Ortuño, et al.
Physical Chemistry Chemical Physics : PCCP|November 12, 2010
Ultrafast dynamics through conical intersections and intramolecular vibrational energy redistribution in styreneA D G Nunn, R S Minns, R Spesyvtsev, et al.
Inorganic Chemistry|January 22, 2010
First-principles bottom-up study of 1D to 3D magnetic transformation in the copper pyrazine dinitrate S = (1)/(2) antiferromagnetic crystalJ Jornet-Somoza, M Deumal, M A Robb, et al.
Pageof 1