Effects of reactant rotation on the dynamics of the OH + CH4 → H2O + CH3 reaction : a six-dimensional study

Effects of reactant rotation on the dynamics of the OH + CH4 → H2O + CH3 reaction : a six-dimensional study

The dynamics of the hydrogen abstraction reaction between methane and hydroxyl radical is investigated using an initial state selected time-dependent wave packet method within a six-dimensional model. The ab initio calibrated global potential energy surface of Espinosa-García and Corchado was used....

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Bibliographic Details
Main Authors: Song, Hongwei, Li, Jun, Jiang, Bin, Yang, Minghui, Lu, Yunpeng, Guo, Hua
Other Authors: School of Physical and Mathematical Sciences
Format: Article
Language:English
Published: 2014
Subjects:
DRNTU::Science::Chemistry::Physical chemistry
Online Access:https://hdl.handle.net/10356/104127
http://hdl.handle.net/10220/19414
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Institution: Nanyang Technological University
Language: English

Internet

https://hdl.handle.net/10356/104127
http://hdl.handle.net/10220/19414

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