Showing results (61-70 of 101) with videos related to

Sort By:
Pageof 11
The Journal of Physical Chemistry Letters|November 4, 2016
Quantum Tunneling Rates of Gas-Phase Reactions from On-the-Fly Instanton CalculationsAdrian N Beyer, Jeremy O Richardson, Peter J Knowles, et al.
Physical Chemistry Chemical Physics : PCCP|May 12, 2007
Torsional anharmonicity in transition state theory calculationsYvette K Sturdy, David C Clary
The Journal of Physical Chemistry. A|January 13, 2006
Quantum simulation of a hydrated noradrenaline analog with the torsional path integral methodThomas F Miller, David C Clary
Physical Chemistry Chemical Physics : PCCP|April 25, 2006
Comparative study of cluster- and supercell-approaches for investigating heterogeneous catalysis by electronic structure methods: tunneling in the reaction N + H --> NH on Ru(0001)Christofer S Tautermann, David C Clary
The Journal of Chemical Physics|January 22, 2009
Chemical reaction surface vibrational frequencies evaluated in curvilinear internal coordinates: Application to H + CH(4) H(2) + CH(3)Simon T Banks, David C Clary
The Journal of Chemical Physics|April 26, 2005
The importance of tunneling in the first hydrogenation step in ammonia synthesis over a Ru(0001) surfaceChristofer S Tautermann, David C Clary
Physical Chemistry Chemical Physics : PCCP|February 16, 2007
Reduced dimensionality quantum dynamics of Cl + CH4 --> HCl + CH3 on an ab initio potentialSimon T Banks, David C Clary
Physical Chemistry Chemical Physics : PCCP|April 28, 2007
Torsional anharmonicity in the conformational analysis of tryptamineYvette K Sturdy, David C Clary
Proceedings of the National Academy of Sciences of the United States of America|November 19, 2008
Vibrationally inelastic H + D2 collisions are forward-scatteredNoah T Goldberg, Jianyang Zhang, Konrad Koszinowski, et al.
The Journal of Chemical Physics|October 2, 2007
Differential cross section for the H+D(2)-->HD(v(')=1,j(')=2,6,10)+D reaction as a function of collision energyKonrad Koszinowski, Noah T Goldberg, Jianyang Zhang, et al.
Pageof 11