The quantum dynamics of H + H2(ν = 1): A coupled states study of cross sections and rate constants

George C. Schatz

doi:10.1016/0009-2614(83)87570-8

The quantum dynamics of H + H₂(ν = 1): A coupled states study of cross sections and rate constants

George C. Schatz

Northwestern University

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

49 Citations (Scopus)

Abstract

Integral cross sections and rate constants for H + H₂(ν = 1) → H₂ (ν = 0, 1) + H are calculated using a coupled states solution to the three-dimensional Schrödinger equation. The results indicate that the large difference between theory and experiment for this reaction is not due to the dynamics calculation.

Original language	English
Pages (from-to)	183-187
Number of pages	5
Journal	Chemical Physics Letters
Volume	94
Issue number	2
DOIs	https://doi.org/10.1016/0009-2614(83)87570-8
Publication status	Published - Jan 14 1983

ASJC Scopus subject areas

Physics and Astronomy(all)
Physical and Theoretical Chemistry

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abstract = "Integral cross sections and rate constants for H + H2(ν = 1) → H2 (ν = 0, 1) + H are calculated using a coupled states solution to the three-dimensional Schr{\"o}dinger equation. The results indicate that the large difference between theory and experiment for this reaction is not due to the dynamics calculation.",

author = "Schatz, {George C.}",

note = "Funding Information: Helpful discussionsw ith J-M. Bowman, A. Kupper-man and D.G. Truhlar are acknowledged.T his work was supported by NSF Grant CHE-S 115 109.",

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N2 - Integral cross sections and rate constants for H + H2(ν = 1) → H2 (ν = 0, 1) + H are calculated using a coupled states solution to the three-dimensional Schrödinger equation. The results indicate that the large difference between theory and experiment for this reaction is not due to the dynamics calculation.

AB - Integral cross sections and rate constants for H + H2(ν = 1) → H2 (ν = 0, 1) + H are calculated using a coupled states solution to the three-dimensional Schrödinger equation. The results indicate that the large difference between theory and experiment for this reaction is not due to the dynamics calculation.

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