scholarly journals Multipath Variational Transition State Theory: Rate Constant of the 1,4-Hydrogen Shift Isomerization of the 2-Cyclohexylethyl Radical

2011 ◽  
Vol 116 (1) ◽  
pp. 297-308 ◽  
Author(s):  
Tao Yu ◽  
Jingjing Zheng ◽  
Donald G. Truhlar
Keyword(s):  
Transition State ◽  
Rate Constant ◽  
Transition State Theory ◽  
State Theory ◽  
Variational Transition State Theory ◽  
Hydrogen Shift ◽  
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
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