Variational transition state theory calculation of proton transfer dynamics in (H3CH...CH3)-

1993 ◽  
Vol 97 (9) ◽  
pp. 1765-1769 ◽  
Author(s):  
Alan D. Isaacson ◽  
Lan Wang ◽  
Steve Scheiner
Keyword(s):  
Proton Transfer ◽  
Transition State ◽  
Transition State Theory ◽  
State Theory ◽  
Variational Transition State Theory ◽  
Theory Calculation ◽  
Variational Transition State

Variational transition state theory evaluation of the rate constant for proton transfer in a polar solvent

2001 ◽  
Vol 115 (18) ◽  
pp. 8460-8480 ◽  
Author(s):  
Robin P. McRae ◽  
Gregory K. Schenter ◽  
Bruce C. Garrett ◽  
Zoran Svetlicic ◽  
Donald G. Truhlar
Keyword(s):  
Proton Transfer ◽  
Transition State ◽  
Rate Constant ◽  
Transition State Theory ◽  
Polar Solvent ◽  
State Theory ◽  
Variational Transition State Theory ◽  
Theory Evaluation ◽  
Variational Transition State

scholarly journals Nanodusty plasma chemistry: a mechanistic and variational transition state theory study of the initial steps of silyl anion–silane and silylene anion–silane polymerization reactions

2015 ◽  
Vol 17 (24) ◽  
pp. 15928-15935 ◽  
Author(s):  
Junwei Lucas Bao ◽  
Prasenjit Seal ◽  
Donald G. Truhlar
Keyword(s):  
Transition State ◽  
Reaction Mechanisms ◽  
Transition State Theory ◽  
Plasma Chemistry ◽  
State Theory ◽  
Variational Transition State Theory ◽  
Variational Transition State

The aim of the present work is to understand the detailed reaction mechanisms in the growth of nanodusty particles, which is critical in plasma chemistry, physics and engineering.

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