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The Journal of Physical Chemistry. A
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January 13, 2006
Quantum simulation of a hydrated noradrenaline analog with the torsional path integral method
Thomas F Miller, David C Clary
Annual Review of Physical Chemistry
|
March 26, 2003
Quantum scattering calculations on chemical reactions
Stuart C Althorpe, 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) surface
Christofer 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 potential
Simon T Banks, David C Clary
Physical Chemistry Chemical Physics : PCCP
|
April 28, 2007
Torsional anharmonicity in the conformational analysis of tryptamine
Yvette K Sturdy, David C Clary
Journal of Chemical Theory and Computation
|
May 1, 2020
Analytic Route to Tunneling Splittings Using Semiclassical Perturbation Theory
Timothy A H Burd, David C Clary
Physical Chemistry Chemical Physics : PCCP
|
January 26, 2011
Reactive resonances in the F + CHD3 reaction--a quantum dynamics study
H Frank von Horsten, David C Clary
The Journal of Chemical Physics
|
March 3, 2016
An investigation of one- versus two-dimensional semiclassical transition state theory for H atom abstraction and exchange reactions
Samuel M Greene, Xiao Shan, David C Clary
Page
of 5
Search research articles
Search
Showing results (21-30 of 50) with videos related to
Sort By:
Page
of 5
The Journal of Physical Chemistry. A
|
January 13, 2006
Quantum simulation of a hydrated noradrenaline analog with the torsional path integral method
Thomas F Miller, David C Clary
Annual Review of Physical Chemistry
|
March 26, 2003
Quantum scattering calculations on chemical reactions
Stuart C Althorpe, 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) surface
Christofer 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 potential
Simon T Banks, David C Clary
Physical Chemistry Chemical Physics : PCCP
|
April 28, 2007
Torsional anharmonicity in the conformational analysis of tryptamine
Yvette K Sturdy, David C Clary
Journal of Chemical Theory and Computation
|
May 1, 2020
Analytic Route to Tunneling Splittings Using Semiclassical Perturbation Theory
Timothy A H Burd, David C Clary
Physical Chemistry Chemical Physics : PCCP
|
January 26, 2011
Reactive resonances in the F + CHD3 reaction--a quantum dynamics study
H Frank von Horsten, David C Clary
The Journal of Chemical Physics
|
March 3, 2016
An investigation of one- versus two-dimensional semiclassical transition state theory for H atom abstraction and exchange reactions
Samuel M Greene, Xiao Shan, David C Clary
Page
of 5