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Philosophical Transactions. Series A, Mathematical, Physical, and Engineering Sciences
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February 13, 2018
Application of one-dimensional semiclassical transition state theory to the CH<sub>3</sub>OH + H ⇌ CH<sub>2</sub>OH/CH<sub>3</sub>O + H<sub>2</sub> reactions
Xiao Shan, David C Clary
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 surface
Ivan Ljubić, David C Clary
The Journal of Chemical Physics
|
July 23, 2004
Ab initio rate constants from hyperspherical quantum scattering: application to H + CH4 --> H2 + CH3
Boutheina Kerkeni, David C Clary
The Journal of Chemical Physics
|
July 23, 2004
Quantum-mechanical calculations on pressure and temperature dependence of three-body recombination reactions: application to ozone formation rates
David Charlo, David C Clary
The Journal of Chemical Physics
|
October 12, 2004
Ab initio rate constants from hyperspherical quantum scattering: application to H+C2H6 and H+CH3OH
Boutheïna Kerkeni, David C Clary
Physical Chemistry Chemical Physics : PCCP
|
April 10, 2010
Towards understanding a mechanism for reversible hydrogen storage: theoretical study of transition metal catalysed dehydrogenation of sodium alanate
Ivan Ljubić, David C Clary
Physical Chemistry Chemical Physics : PCCP
|
February 17, 2006
Quantum reactive scattering of H + hydrocarbon reactions
Boutheïna Kerkeni, David C Clary
The Journal of Physical Chemistry. A
|
October 2, 2014
Quantum dynamics of the abstraction reaction of H with cyclopropane
Xiao Shan, David C Clary
Physical Chemistry Chemical Physics : PCCP
|
October 1, 2013
A reduced dimensionality quantum mechanical study of the H + HCF3 ↔ H2 + CF3 reaction
Xiao Shan, David C Clary
Physical 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 method
Xiao Shan, David C Clary
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of 11
Search research articles
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Showing results (11-20 of 102) with videos related to
Sort By:
Page
of 11
Philosophical Transactions. Series A, Mathematical, Physical, and Engineering Sciences
|
February 13, 2018
Application of one-dimensional semiclassical transition state theory to the CH<sub>3</sub>OH + H ⇌ CH<sub>2</sub>OH/CH<sub>3</sub>O + H<sub>2</sub> reactions
Xiao Shan, David C Clary
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 surface
Ivan Ljubić, David C Clary
The Journal of Chemical Physics
|
July 23, 2004
Ab initio rate constants from hyperspherical quantum scattering: application to H + CH4 --> H2 + CH3
Boutheina Kerkeni, David C Clary
The Journal of Chemical Physics
|
July 23, 2004
Quantum-mechanical calculations on pressure and temperature dependence of three-body recombination reactions: application to ozone formation rates
David Charlo, David C Clary
The Journal of Chemical Physics
|
October 12, 2004
Ab initio rate constants from hyperspherical quantum scattering: application to H+C2H6 and H+CH3OH
Boutheïna Kerkeni, David C Clary
Physical Chemistry Chemical Physics : PCCP
|
April 10, 2010
Towards understanding a mechanism for reversible hydrogen storage: theoretical study of transition metal catalysed dehydrogenation of sodium alanate
Ivan Ljubić, David C Clary
Physical Chemistry Chemical Physics : PCCP
|
February 17, 2006
Quantum reactive scattering of H + hydrocarbon reactions
Boutheïna Kerkeni, David C Clary
The Journal of Physical Chemistry. A
|
October 2, 2014
Quantum dynamics of the abstraction reaction of H with cyclopropane
Xiao Shan, David C Clary
Physical Chemistry Chemical Physics : PCCP
|
October 1, 2013
A reduced dimensionality quantum mechanical study of the H + HCF3 ↔ H2 + CF3 reaction
Xiao Shan, David C Clary
Physical 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 method
Xiao Shan, David C Clary
Page
of 11