Quantum reaction dynamics of C(1D) + HD → CH(CD) + D(H) on the ground state potential energy surface

2017 ◽  
Vol 117 (21) ◽  
pp. e25431 ◽  
Author(s):  
Zhao-Peng Sun ◽  
Wen-Kai Zhao ◽  
Chuan-Lu Yang
Keyword(s):  
Potential Energy ◽  
Potential Energy Surface ◽  
Ground State ◽  
Energy Surface ◽  
Reaction Dynamics ◽  
State Potential ◽  
Quantum Reaction

Global analytical ab initio ground-state potential energy surface for the C(1D)+H2 reactive system

2014 ◽  
Vol 140 (23) ◽  
pp. 234301 ◽  
Author(s):  
Chunfang Zhang ◽  
Mingkai Fu ◽  
Zhitao Shen ◽  
Haitao Ma ◽  
Wensheng Bian
Keyword(s):  
Potential Energy ◽  
Potential Energy Surface ◽  
Ab Initio ◽  
Ground State ◽  
Energy Surface ◽  
Reactive System ◽  
State Potential

Ground-state potential energy surface of phosphine oxide

1987 ◽  
Vol 91 (7) ◽  
pp. 1743-1749 ◽  
Author(s):  
Jerry A. Boatz ◽  
Michael W. Schmidt ◽  
Mark S. Gordon
Keyword(s):  
Potential Energy ◽  
Potential Energy Surface ◽  
Phosphine Oxide ◽  
Ground State ◽  
Energy Surface ◽  
State Potential

Dynamics and kinetics of the OH + HO2 → H2O + O2 (1Δg) reaction on a global full-dimensional singlet-state potential energy surface

2020 ◽  
Vol 22 (45) ◽  
pp. 26330-26339
Author(s):  
Xiaoxiao Lu ◽  
Bina Fu ◽  
Dong H. Zhang
Keyword(s):  
Potential Energy ◽  
Potential Energy Surface ◽  
Energy Surface ◽  
Singlet State ◽  
Reaction Dynamics ◽  
State Potential ◽  
Kinetics Of

The reaction dynamics and kinetics of OH + HO2 → H2O + O2 on the singlet state were revealed by theory, based on an accurate full-dimensional PES.

The H2O++ Ground State Potential Energy Surface

1999 ◽  
Vol 198 (2) ◽  
pp. 371-375 ◽  
Author(s):  
P.R. Bunker ◽  
Ota Bludsky ◽  
Per Jensen ◽  
S.S. Wesolowski ◽  
T.J. Van Huis ◽  
...  
Keyword(s):  
Potential Energy ◽  
Potential Energy Surface ◽  
Ground State ◽  
Energy Surface ◽  
State Potential
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