Quantum-mechanical study of the reaction Be + FH(υ = 0, 1) → BeF(υ′) + H

James F. Garvey; Jack A. Kaye; Aron Kuppermann

doi:10.1016/0009-2614(85)85396-3

Quantum-mechanical study of the reaction Be + FH(υ = 0, 1) → BeF(υ′) + H

James F. Garvey
, Jack A. Kaye
, Aron Kuppermann

Chemistry

California Institute of Technology

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

Abstract

Exact quantum-mechanical calculations for a collinear model of the reaction Be + FH(υ = 0, 1) have been performed. Effects of reagent translational and vibrational excitation on reaction probabilities and product state distributions are examined. These quantum results show product state distributions which differ from those of quasi-classical trajectory calculations.

Original language	English
Pages (from-to)	384-388
Number of pages	5
Journal	Chemical Physics Letters
Volume	118
Issue number	4
DOIs	https://doi.org/10.1016/0009-2614(85)85396-3
State	Published - Aug 2 1985

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title = "Quantum-mechanical study of the reaction Be + FH(υ = 0, 1) → BeF(υ′) + H",

abstract = "Exact quantum-mechanical calculations for a collinear model of the reaction Be + FH(υ = 0, 1) have been performed. Effects of reagent translational and vibrational excitation on reaction probabilities and product state distributions are examined. These quantum results show product state distributions which differ from those of quasi-classical trajectory calculations.",

author = "Garvey, \{James F.\} and Kaye, \{Jack A.\} and Aron Kuppermann",

year = "1985",

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AU - Garvey, James F.

AU - Kaye, Jack A.

AU - Kuppermann, Aron

PY - 1985/8/2

Y1 - 1985/8/2

N2 - Exact quantum-mechanical calculations for a collinear model of the reaction Be + FH(υ = 0, 1) have been performed. Effects of reagent translational and vibrational excitation on reaction probabilities and product state distributions are examined. These quantum results show product state distributions which differ from those of quasi-classical trajectory calculations.

AB - Exact quantum-mechanical calculations for a collinear model of the reaction Be + FH(υ = 0, 1) have been performed. Effects of reagent translational and vibrational excitation on reaction probabilities and product state distributions are examined. These quantum results show product state distributions which differ from those of quasi-classical trajectory calculations.

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U2 - 10.1016/0009-2614(85)85396-3

DO - 10.1016/0009-2614(85)85396-3

M3 - Article

AN - SCOPUS:46549091292

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VL - 118

SP - 384

EP - 388

JO - Chemical Physics Letters

JF - Chemical Physics Letters

IS - 4

ER -

Quantum-mechanical study of the reaction Be + FH(υ = 0, 1) → BeF(υ′) + H

Abstract

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