Ab initio energetic calculations of elementary reactions relevant to low-temperature silane oxidation by gaussian-2 theory

Shigeo Kondo, Kazuaki Tokuhashi, Hidekazu Nagai, Akifumi Takahashi, Masahiro Kaise, Masaaki Sugie, Mutsumi Aoyagi, Koichi Mogi, Satoshi Minamino

研究成果: Contribution to journalArticle査読

14 被引用数 (Scopus)

抄録

Ab initio G-2 calculations have been carried out for a number of elementary reactions relevant to low-temperature silane oxidation. The calculations have been made to identify the chain-branching process which enables the spontaneous ignition of silane at room temperature. Extensive calculations have also been made for the reactions of major intermediates with hydrogen atoms and water vapor.

本文言語英語
ページ(範囲)6015-6022
ページ数8
ジャーナルJournal of Physical Chemistry A
101
34
DOI
出版ステータス出版済み - 8 21 1997
外部発表はい

All Science Journal Classification (ASJC) codes

  • Physical and Theoretical Chemistry

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