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The Journal of Physical Chemistry. A|October 2, 2014
Quantum dynamics of the abstraction reaction of H with cyclopropaneXiao Shan, David C ClaryPhysical Chemistry Chemical Physics : PCCP|October 1, 2013
A reduced dimensionality quantum mechanical study of the H + HCF3 ↔ H2 + CF3 reactionXiao Shan, David C ClaryPhysical Chemistry Chemical Physics : PCCP|December 11, 2012
Quantum effects in the abstraction reaction by H atoms of primary and secondary hydrogens in n-C4H10: a test of a new potential energy surface construction methodXiao Shan, David C ClaryThe Journal of Chemical Physics|August 27, 2005
The effect of the torsional and stretching vibrations of C2H6 on the H + C2H6 --> H2 + C2H5 reactionBoutheïna Kerkeni, David C ClaryPhysical Chemistry Chemical Physics : PCCP|May 12, 2007
Torsional anharmonicity in transition state theory calculationsYvette K Sturdy, David C ClaryThe 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 ClaryAnnual Review of Physical Chemistry|March 26, 2003
Quantum scattering calculations on chemical reactionsStuart C Althorpe, David C ClaryPhysical 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 ClaryThe 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 ClaryThe 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 ClaryPageof 5