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: ジャーナルへの寄稿記事

14 引用 (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.

元の言語英語
ページ(範囲)6015-6022
ページ数8
ジャーナルJournal of Physical Chemistry A
101
発行部数34
DOI
出版物ステータス出版済み - 8 21 1997

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Silanes
silanes
Oxidation
oxidation
Steam
Temperature
ignition
Ignition
water vapor
Hydrogen
hydrogen atoms
vapors
Atoms
room temperature

All Science Journal Classification (ASJC) codes

  • Physical and Theoretical Chemistry

これを引用

Ab initio energetic calculations of elementary reactions relevant to low-temperature silane oxidation by gaussian-2 theory. / Kondo, Shigeo; Tokuhashi, Kazuaki; Nagai, Hidekazu; Takahashi, Akifumi; Kaise, Masahiro; Sugie, Masaaki; Aoyagi, Mutsumi; Mogi, Koichi; Minamino, Satoshi.

:: Journal of Physical Chemistry A, 巻 101, 番号 34, 21.08.1997, p. 6015-6022.

研究成果: ジャーナルへの寄稿記事

Kondo, S, Tokuhashi, K, Nagai, H, Takahashi, A, Kaise, M, Sugie, M, Aoyagi, M, Mogi, K & Minamino, S 1997, 'Ab initio energetic calculations of elementary reactions relevant to low-temperature silane oxidation by gaussian-2 theory', Journal of Physical Chemistry A, 巻. 101, 番号 34, pp. 6015-6022. https://doi.org/10.1021/jp970313p
Kondo, Shigeo ; Tokuhashi, Kazuaki ; Nagai, Hidekazu ; Takahashi, Akifumi ; Kaise, Masahiro ; Sugie, Masaaki ; Aoyagi, Mutsumi ; Mogi, Koichi ; Minamino, Satoshi. / Ab initio energetic calculations of elementary reactions relevant to low-temperature silane oxidation by gaussian-2 theory. :: Journal of Physical Chemistry A. 1997 ; 巻 101, 番号 34. pp. 6015-6022.
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