scholarly journals Variational transition-state theory and semiclassical tunnelling calculations with interpolated corrections: a new approach to interfacing electronic structure theory and dynamics for organic reactions

1994 ◽  
Vol 90 (12) ◽  
pp. 1715 ◽  
Author(s):  
Wei-Ping Hu ◽  
Yi-Ping Liu ◽  
Donald G. Truhlar
Keyword(s):  
Electronic Structure ◽  
Transition State ◽  
Transition State Theory ◽  
State Theory ◽  
Organic Reactions ◽  
Electronic Structure Theory ◽  
Structure Theory ◽  
Variational Transition State Theory ◽  
New Approach ◽  
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.

Sign in / Sign up

Export Citation Format

Share Document