Ab initio variational transition‐state‐theory reaction‐rate calculations for the gas‐phase reaction H+HNO→H2+NO

1992 ◽  
Vol 97 (10) ◽  
pp. 7287-7296 ◽  
Author(s):  
Maribel R. Soto ◽  
Michael Page
Keyword(s):  
Transition State ◽  
Ab Initio ◽  
Gas Phase ◽  
Transition State Theory ◽  
Reaction Rate ◽  
State Theory ◽  
Phase Reaction ◽  
Variational Transition State Theory ◽  
Gas Phase Reaction ◽  
Variational Transition State

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)

Sign in / Sign up

Export Citation Format

Share Document