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High-level ab initio and density functional theory study on reaction path and rate constant of the hydrogen abstraction reaction SiH2Cl2+H→SiHCl2+H2

✍ Scribed by Xin Yu; Shen-Min Li; Zhen-Feng Xu; Ze-Sheng Li; Chia-Chung Sun

Book ID
114141401
Publisher
Elsevier Science
Year
2001
Tongue
English
Weight
286 KB
Volume
543
Category
Article
ISSN
0166-1280

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## Abstract This article describes an __ab initio__ investigation on the potential surfaces for one of the simplest hydrogen atom abstraction reactions, that is, HO + H~2~O ↔ H~2~O + OH. In accord with the findings in the previously reported theoretical investigations, two types of the hydrogen‐bon