A quasi-classical trajectory study of product vibrational distributions in the OH + H2 → H2O + H reaction

George C Schatz; Henry Elgersma

doi:10.1016/0009-2614(80)85193-1

A quasi-classical trajectory study of product vibrational distributions in the OH + H₂ → H₂O + H reaction

George C Schatz, Henry Elgersma

Northwestern University

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

251 Citations (Scopus)

Abstract

Product H₂O vibrational distributions are calculated for the OH + H₂ reaction using a fitted ab initio potential surface and a classical perturbation theory method to determine vibrational good action variables. Substantial excitation in all vibrational modes is found.

Original language	English
Pages (from-to)	21-25
Number of pages	5
Journal	Chemical Physics Letters
Volume	73
Issue number	1
DOIs	https://doi.org/10.1016/0009-2614(80)85193-1
Publication status	Published - Jan 1 1980

ASJC Scopus subject areas

Physics and Astronomy(all)
Physical and Theoretical Chemistry

Access to Document

10.1016/0009-2614(80)85193-1

Fingerprint Dive into the research topics of 'A quasi-classical trajectory study of product vibrational distributions in the OH + H<sub>2</sub> → H<sub>2</sub>O + H reaction'. Together they form a unique fingerprint.

Cite this

@article{c0726976d77a4f87b1eeee1f30cf3326,

title = "A quasi-classical trajectory study of product vibrational distributions in the OH + H2 → H2O + H reaction",

abstract = "Product H2O vibrational distributions are calculated for the OH + H2 reaction using a fitted ab initio potential surface and a classical perturbation theory method to determine vibrational good action variables. Substantial excitation in all vibrational modes is found.",

author = "Schatz, {George C} and Henry Elgersma",

year = "1980",

month = jan,

day = "1",

doi = "10.1016/0009-2614(80)85193-1",

language = "English",

volume = "73",

pages = "21--25",

journal = "Chemical Physics Letters",

issn = "0009-2614",

publisher = "Elsevier",

number = "1",

}

TY - JOUR

T1 - A quasi-classical trajectory study of product vibrational distributions in the OH + H2 → H2O + H reaction

AU - Schatz, George C

AU - Elgersma, Henry

PY - 1980/1/1

Y1 - 1980/1/1

N2 - Product H2O vibrational distributions are calculated for the OH + H2 reaction using a fitted ab initio potential surface and a classical perturbation theory method to determine vibrational good action variables. Substantial excitation in all vibrational modes is found.

AB - Product H2O vibrational distributions are calculated for the OH + H2 reaction using a fitted ab initio potential surface and a classical perturbation theory method to determine vibrational good action variables. Substantial excitation in all vibrational modes is found.

UR - http://www.scopus.com/inward/record.url?scp=78751483165&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=78751483165&partnerID=8YFLogxK

U2 - 10.1016/0009-2614(80)85193-1

DO - 10.1016/0009-2614(80)85193-1

M3 - Article

AN - SCOPUS:78751483165

VL - 73

SP - 21

EP - 25

JO - Chemical Physics Letters

JF - Chemical Physics Letters

SN - 0009-2614

IS - 1