Mode specificity in the OH + CHD 3 reaction: Reduced-dimensional quantum and quasi-classical studies on an ab initio based full-dimensional potential energy surface

Mode specificity in the OH + CHD 3 reaction: Reduced-dimensional quantum and quasi-classical studies on an ab initio based full-dimensional potential energy surface

An initial state selected time-dependent wave packet method is applied to study the dynamics of the OH + CHD3 reaction with a six-dimensional model on a newly developed full-dimensional ab initio potential energy surface (PES). This quantum dynamical (QD) study is complemented by full-dimensional qu...

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Bibliographic Details
Main Authors: Yang, Minghui, Guo, Hua, Song, Hongwei, Lu, Yunpeng, Li, Jun
Other Authors: School of Physical and Mathematical Sciences
Format: Journal Article
Language:English
Published: 2017
Subjects:
Trajectory Models
Quantum Dots
Online Access:https://hdl.handle.net/10356/86674
http://hdl.handle.net/10220/44127

Internet

https://hdl.handle.net/10356/86674
http://hdl.handle.net/10220/44127

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