Classical trajectory study of the effect of vibrational energy on the reaction of molecular hydrogen with atomic oxygen

1977 ◽  
Vol 66 (9) ◽  
pp. 4116-4120 ◽  
Author(s):  
B. R. Johnson ◽  
N. W. Winter
Keyword(s):  
Molecular Hydrogen ◽  
Atomic Oxygen ◽  
Vibrational Energy ◽  
Classical Trajectory

The effect of vibrational energy on the reaction of molecular hydrogen with atomic oxygen

1975 ◽  
Vol 31 (2) ◽  
pp. 220-224 ◽  
Author(s):  
John H. Birely ◽  
Jerome V.V. Kasper ◽  
Francis Hai ◽  
Lane A. Darnton
Keyword(s):  
Molecular Hydrogen ◽  
Atomic Oxygen ◽  
Vibrational Energy

Dissection of the multichannel reaction of acetylene with atomic oxygen: from the global potential energy surface to rate coefficients and branching dynamics

2019 ◽  
Vol 21 (3) ◽  
pp. 1408-1416 ◽  
Author(s):  
Junxiang Zuo ◽  
Qixin Chen ◽  
Xixi Hu ◽  
Hua Guo ◽  
Daiqian Xie
Keyword(s):  
Potential Energy ◽  
Potential Energy Surface ◽  
Atomic Oxygen ◽  
Energy Surface ◽  
Rate Coefficient ◽  
Branching Ratio ◽  
Classical Trajectory ◽  
Rate Coefficients ◽  
Product Branching

A global potential energy surface for the O(3P) + C2H2reaction is developed and the quasi-classical trajectory study on the potential energy surface reproduce the rate coefficient and product branching ratio.

Quantum and classical dynamics of H + CaCl(X 2Σ+) → HCl + Ca(1S) reaction and vibrational energy levels of the HCaCl complex

2016 ◽  
Vol 18 (23) ◽  
pp. 15673-15685 ◽  
Author(s):  
Rui Shan Tan ◽  
Huan Chen Zhai ◽  
Feng Gao ◽  
Dianmin Tong ◽  
Shi Ying Lin
Keyword(s):  
Wave Packet ◽  
Cross Sections ◽  
Ground State ◽  
Energy Surface ◽  
Vibrational Energy ◽  
Energy Levels ◽  
Classical Trajectory ◽  
Classical Dynamics ◽  
Quantum Wave ◽  
Vibrational Energy Levels

We carried out accurate quantum wave packet as well as quasi-classical trajectory (QCT) calculations for H + CaCl (νi = 0, ji = 0) reaction occurring on an adiabatic ground state. Recent ab initio potential energy surface is employed to calculate the quantum and QCT reaction probabilities for several partial waves (J = 0, 10, and 20) as well as state resolved QCT integral and differential cross sections.

Molecular hydrogen isotopomers as traps of vibrational energy in low temperature matrices

1996 ◽  
Vol 254 (1-2) ◽  
pp. 47-51 ◽  
Author(s):  
Robert Kołos ◽  
Akil Salloum ◽  
henri Dubost
Keyword(s):  
Low Temperature ◽  
Molecular Hydrogen ◽  
Vibrational Energy
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