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Physical Chemistry Chemical Physics : PCCP|February 10, 2012
Quasiclassical trajectory calculations of hydrogen absorption in the (NaAlH4)2Ti system on a model analytical potential energy surfaceIvan Ljubić, David C ClaryThe Journal of Chemical Physics|July 23, 2004
Ab initio rate constants from hyperspherical quantum scattering: application to H + CH4 --> H2 + CH3Boutheina Kerkeni, David C ClaryThe Journal of Chemical Physics|July 23, 2004
Quantum-mechanical calculations on pressure and temperature dependence of three-body recombination reactions: application to ozone formation ratesDavid Charlo, David C ClaryThe Journal of Chemical Physics|October 12, 2004
Ab initio rate constants from hyperspherical quantum scattering: application to H+C2H6 and H+CH3OHBoutheïna Kerkeni, David C ClaryPhysical Chemistry Chemical Physics : PCCP|April 10, 2010
Towards understanding a mechanism for reversible hydrogen storage: theoretical study of transition metal catalysed dehydrogenation of sodium alanateIvan Ljubić, David C ClaryPhysical Chemistry Chemical Physics : PCCP|February 17, 2006
Quantum reactive scattering of H + hydrocarbon reactionsBoutheïna Kerkeni, David C ClaryThe 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 ClaryPageof 26