Semiclassical approximations for the calculation of thermal rate constants for chemical reactions in complex molecular systems

1998 ◽  
Vol 108 (23) ◽  
pp. 9726-9736 ◽  
Author(s):  
Haobin Wang ◽  
Xiong Sun ◽  
William H. Miller
Keyword(s):  
Chemical Reactions ◽  
Rate Constants ◽  
Molecular Systems ◽  
Thermal Rate Constants ◽  
Semiclassical Approximations

A combined quantum‐classical dynamics method for calculating thermal rate constants of chemical reactions in solution

1992 ◽  
Vol 96 (11) ◽  
pp. 8136-8142 ◽  
Author(s):  
Thanh N. Truong ◽  
J. Andrew McCammon ◽  
Donald J. Kouri ◽  
David K. Hoffman
Keyword(s):  
Chemical Reactions ◽  
Rate Constants ◽  
Classical Dynamics ◽  
Thermal Rate Constants ◽  
Dynamics Method

Quantum instanton approximation for thermal rate constants of chemical reactions

2003 ◽  
Vol 119 (3) ◽  
pp. 1329-1342 ◽  
Author(s):  
William H. Miller ◽  
Yi Zhao ◽  
Michele Ceotto ◽  
Sandy Yang
Keyword(s):  
Chemical Reactions ◽  
Rate Constants ◽  
Thermal Rate Constants ◽  
Quantum Instanton

Thermal rate constants for electron attachment to N2O: An example of endothermic attachment

2020 ◽  
Vol 153 (7) ◽  
pp. 074306
Author(s):  
Jordan C. Sawyer ◽  
Thomas M. Miller ◽  
Shaun G. Ard ◽  
Brendan C. Sweeny ◽  
Albert A. Viggiano ◽  
...  
Keyword(s):  
Rate Constants ◽  
Electron Attachment ◽  
Thermal Rate Constants
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