Ab Initio and DFT Direct Dynamics Studies on the Reaction Path and Rate Constant of the Hydrogen Abstraction Reaction: SiH3F + H → SiH2F + H2-Reference-Cited by-同舟云学术

Ab Initio and DFT Direct Dynamics Studies on the Reaction Path and Rate Constant of the Hydrogen Abstraction Reaction: SiH3F + H → SiH2F + H2

Published:2001-04-01 Issue:16 Volume:105 Page:3967-3972
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Li Shen-Min¹,Yu Xin¹,Xu Zhen-Feng¹,Li Ze-Sheng¹,Sun Chia-Chung¹

Affiliation:

1. Institute of Theoretical Chemistry, State Key Laboratory of Theoretical and Computational Chemistry, Jilin University, Changchun 130023, People's Republic of China, and Department of Applied Chemistry, Beijing University of Chemical Technology, Beijing 100029, People's Republic of China

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp003460n

Reference24 articles.

1. Direct Ab Initio Dynamics Studies of the Reaction Paths and Rate Constants of Hydrogen Atom with Germane and Silane

2. Photosensitive amorphous silicon films deposited from hexafluorodisilane

3. Glow-Discharge Deposition of Amorphous Silicon from SiH3F

4. Anomalous decomposition profile of the excited triplet SiH3F: A prediction by ab initio molecular orbital calculations

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