Prediction of pressure dependent rate constant for the reaction, SiH4(g)→SiH3(g)+H(g), using RRKM theory aided by ab-initio MO

Nagahiro Saito; Mitsuhito Hirota; Takahiro Ishizaki; Akio Fuwa

Prediction of pressure dependent rate constant for the reaction, SiH₄(g)→SiH₃(g)+H(g), using RRKM theory aided by ab-initio MO

Nagahiro Saito, Mitsuhito Hirota, Takahiro Ishizaki, Akio Fuwa

Research output: Contribution to journal › Article

Abstract

The pressure dependent rate constant for the reaction, SiH₄(g)→SiH₃(g)+H was predicted using the Rice-Ramspger-Kassel-Marcus theory aided by Ab-initio molecular orbital (MO). It was calculated under conditions in which the temperatures were from 600 to 1500 K intervals of 100 K. The Arrhenius type rate expression was shown.

Original language	English
Pages (from-to)	520-526
Number of pages	7
Journal	Nippon Kinzoku Gakkaishi/Journal of the Japan Institute of Metals
Volume	63
Issue number	4
Publication status	Published - 1999
Externally published	Yes

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Molecular orbitals

Rate constants

molecular orbitals

rice

predictions

intervals

Temperature

temperature

ASJC Scopus subject areas

Metals and Alloys

Cite this

Saito, N., Hirota, M., Ishizaki, T., & Fuwa, A. (1999). Prediction of pressure dependent rate constant for the reaction, SiH₄(g)→SiH₃(g)+H(g), using RRKM theory aided by ab-initio MO. Nippon Kinzoku Gakkaishi/Journal of the Japan Institute of Metals, 63(4), 520-526.

Prediction of pressure dependent rate constant for the reaction, SiH₄(g)→SiH₃(g)+H(g), using RRKM theory aided by ab-initio MO. / Saito, Nagahiro; Hirota, Mitsuhito; Ishizaki, Takahiro; Fuwa, Akio.

In: Nippon Kinzoku Gakkaishi/Journal of the Japan Institute of Metals, Vol. 63, No. 4, 1999, p. 520-526.

Research output: Contribution to journal › Article

Saito, N, Hirota, M, Ishizaki, T & Fuwa, A 1999, 'Prediction of pressure dependent rate constant for the reaction, SiH₄(g)→SiH₃(g)+H(g), using RRKM theory aided by ab-initio MO', Nippon Kinzoku Gakkaishi/Journal of the Japan Institute of Metals, vol. 63, no. 4, pp. 520-526.

Saito N, Hirota M, Ishizaki T, Fuwa A. Prediction of pressure dependent rate constant for the reaction, SiH₄(g)→SiH₃(g)+H(g), using RRKM theory aided by ab-initio MO. Nippon Kinzoku Gakkaishi/Journal of the Japan Institute of Metals. 1999;63(4):520-526.

Saito, Nagahiro ; Hirota, Mitsuhito ; Ishizaki, Takahiro ; Fuwa, Akio. / Prediction of pressure dependent rate constant for the reaction, SiH₄(g)→SiH₃(g)+H(g), using RRKM theory aided by ab-initio MO. In: Nippon Kinzoku Gakkaishi/Journal of the Japan Institute of Metals. 1999 ; Vol. 63, No. 4. pp. 520-526.

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