Breakdown of the vibrationally adiabatic approximation in the early-barrier CH3 + HBr → CH4 + Br reaction
出版年份 2017 全文链接
标题
Breakdown of the vibrationally adiabatic approximation in the early-barrier CH3 + HBr → CH4 + Br reaction
作者
关键词
Quantum dynamics, Quasi-classical trajectory, Polyatomic reaction, Vibrationally adiabatic approximation
出版物
THEORETICAL CHEMISTRY ACCOUNTS
Volume 136, Issue 5, Pages -
出版商
Springer Nature
发表日期
2017-04-17
DOI
10.1007/s00214-017-2089-8
参考文献
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- (2016) Yan Wang et al. Journal of Physical Chemistry Letters
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- (2014) Rui Liu et al. JOURNAL OF CHEMICAL PHYSICS
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