Direct ab initio dynamics studies of N+H2↔NH+H reaction

Shaowen Zhang; Thanh N. Truong

doi:10.1063/1.1308544

Direct ab initio dynamics studies of N+H₂↔NH+H reaction

Shaowen Zhang
, Thanh N. Truong

University of Utah

Research output: Contribution to journal › Article › peer-review

35 Citations (Scopus)

Abstract

A high-level ab initio molecular orbital method was used to study the reactions of N atom with H₂ on several low-lying electronic states. The thermal rate constants of the N(⁴S)+H₂→NH+H reaction and its reverse action were calculated. The obtained data were analyzed in detail.

Original language	English
Pages (from-to)	6149-6153
Number of pages	5
Journal	Journal of Chemical Physics
Volume	113
Issue number	15
DOIs	https://doi.org/10.1063/1.1308544
Publication status	Published - 15 Oct 2000
Externally published	Yes

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10.1063/1.1308544

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title = "Direct ab initio dynamics studies of N+H2↔NH+H reaction",

abstract = "A high-level ab initio molecular orbital method was used to study the reactions of N atom with H2 on several low-lying electronic states. The thermal rate constants of the N(4S)+H2→NH+H reaction and its reverse action were calculated. The obtained data were analyzed in detail.",

author = "Shaowen Zhang and Truong, \{Thanh N.\}",

year = "2000",

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AU - Truong, Thanh N.

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N2 - A high-level ab initio molecular orbital method was used to study the reactions of N atom with H2 on several low-lying electronic states. The thermal rate constants of the N(4S)+H2→NH+H reaction and its reverse action were calculated. The obtained data were analyzed in detail.

AB - A high-level ab initio molecular orbital method was used to study the reactions of N atom with H2 on several low-lying electronic states. The thermal rate constants of the N(4S)+H2→NH+H reaction and its reverse action were calculated. The obtained data were analyzed in detail.

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DO - 10.1063/1.1308544

M3 - Article

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EP - 6153

JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

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ER -

Direct ab initio dynamics studies of N+H₂↔NH+H reaction

Abstract

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