The quantum dynamics of hydrogen and deuterium on the Pd(111) surface: A path integral transition state theory study

1993 ◽  
Vol 99 (10) ◽  
pp. 8183-8193 ◽  
Author(s):  
Steven W. Rick ◽  
D. L. Lynch ◽  
J. D. Doll
Keyword(s):  
Transition State ◽  
Path Integral ◽  
Quantum Dynamics ◽  
Transition State Theory ◽  
State Theory

scholarly journals Comparison of Quantum Dynamics and Quantum Transition State Theory Estimates of the H + CH4Reaction Rate†

2009 ◽  
Vol 113 (16) ◽  
pp. 4468-4478 ◽  
Author(s):  
Stefan Andersson ◽  
Gunnar Nyman ◽  
Andri Arnaldsson ◽  
Uwe Manthe ◽  
Hannes Jónsson
Keyword(s):  
Transition State ◽  
Quantum Dynamics ◽  
Transition State Theory ◽  
State Theory ◽  
Quantum Transition

Generalized path integral based quantum transition state theory

1997 ◽  
Vol 278 (1-3) ◽  
pp. 91-96 ◽  
Author(s):  
G. Mills ◽  
G.K. Schenter ◽  
D.E. Makarov ◽  
H. Jónsson
Keyword(s):  
Transition State ◽  
Path Integral ◽  
Transition State Theory ◽  
State Theory ◽  
Quantum Transition
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