scholarly journals Quantum mechanical transition state theory and a new semiclassical model for reaction rate constants

1974 ◽  
Vol 61 (5) ◽  
pp. 1823-1834 ◽  
Author(s):  
William H. Miller
Keyword(s):  
Transition State ◽  
Rate Constants ◽  
Transition State Theory ◽  
Reaction Rate ◽  
State Theory ◽  
Quantum Mechanical ◽  
Reaction Rate Constants ◽  
Semiclassical Model ◽  
Mechanical Transition

scholarly journals Ab initio Variational Transition State Theory and Master Equation Study of the Reaction (OH)3SiOCH2 + CH3 ⇌ (OH)3SiOC2H5

2015 ◽  
Vol 229 (5) ◽  
Author(s):  
Daniel Nurkowski ◽  
Stephen J. Klippenstein ◽  
Yuri Georgievskii ◽  
Marco Verdicchio ◽  
Ahren W. Jasper ◽  
...  
Keyword(s):  
Transition State ◽  
Ab Initio ◽  
Master Equation ◽  
Rate Constants ◽  
Transition State Theory ◽  
Reaction Rate ◽  
State Theory ◽  
Variational Transition State Theory ◽  
Reaction Rate Constants ◽  
Variational Transition State

AbstractIn this paper we use variable reaction coordinate variational transition state theory (VRC-TST) to calculate the reaction rate constants for the two reactions, R1: (OH)

scholarly journals Application of Transition State Theory to Estimate Diffusion Controlled Bimolecular Reaction Rate Constants.

1981 ◽  
Vol 35b ◽  
pp. 529-531 ◽  
Author(s):  
Vernon D. Parker ◽  
Ann-Marie Eklund ◽  
Toshiaki Nishida ◽  
Curt R. Enzell ◽  
Curt R. Enzell
Keyword(s):  
Transition State ◽  
Rate Constants ◽  
Transition State Theory ◽  
Reaction Rate ◽  
Bimolecular Reaction ◽  
State Theory ◽  
Reaction Rate Constants ◽  
Diffusion Controlled
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