Counter-propagating wave packets in the quantum transition state approach to reactive scattering

2019 ◽  
Vol 150 (18) ◽  
pp. 184103 ◽  
Author(s):  
Bin Zhao ◽  
Uwe Manthe
Keyword(s):  
Transition State ◽  
Wave Packets ◽  
Quantum Transition ◽  
Reactive Scattering

The symmetric C-D stretching spectator mode in the H+CHD3→H2+CD3 reaction and its effect on dynamical modeling

2021 ◽  
Author(s):  
Bin Zhao
Keyword(s):  
Transition State ◽  
Quantum Transition ◽  
Dynamical Modeling ◽  
Vibrational Excitations

The symmetric C-D stretching mode is a spectator mode in the H+CHD3→H2+CD3 reaction. Effects of multiple vibrational excitations of the CHD3 reactant are studied with the quantum transition-state (QTS) framework...

Comment on Quantum Transition State Theory

1996 ◽  
Vol 100 (29) ◽  
pp. 11893-11902 ◽  
Author(s):  
Stuart A. Rice ◽  
Soonmin Jang ◽  
Meishan Zhao
Keyword(s):  
Transition State ◽  
Transition State Theory ◽  
State Theory ◽  
Quantum Transition

Cumulative reaction probability via transition state wave packets

1996 ◽  
Vol 104 (16) ◽  
pp. 6184-6191 ◽  
Author(s):  
Dong H. Zhang ◽  
John C. Light
Keyword(s):  
Transition State ◽  
Wave Packets ◽  
Reaction Probability ◽  
State Wave

Transition state dynamics of ( reactive scattering

1992 ◽  
Vol 188 (5-6) ◽  
pp. 520-524 ◽  
Author(s):  
Z.Z. Zhu ◽  
J.J.W. McDouall ◽  
D.J. Smith ◽  
R. Grice
Keyword(s):  
Transition State ◽  
Reactive Scattering
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