A reduced dimension quantum reactive scattering study of OH + CO⇌H + CO2

George C Schatz; Jeff Dyck

doi:10.1016/0009-2614(92)85080-T

A reduced dimension quantum reactive scattering study of OH + CO⇌H + CO₂

George C Schatz, Jeff Dyck

Northwestern University

Research output: Contribution to journal › Article

48 Citations (Scopus)

Abstract

We develop a two-degree of freedom model of OH+CO⇌H+CO₂ based on a realistic potential surface. Trajectory and RRKM results for this model are similar to their full dimensional counterparts. Accurate quantum studies of the model show that quantum and nonstatistical effects play an important role in determining HOCO lifetimes.

Original language	English
Pages (from-to)	11-15
Number of pages	5
Journal	Chemical Physics Letters
Volume	188
Issue number	1-2
DOIs	https://doi.org/10.1016/0009-2614(92)85080-T
Publication status	Published - Jan 3 1992

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ASJC Scopus subject areas

Physical and Theoretical Chemistry
Spectroscopy
Condensed Matter Physics
Atomic and Molecular Physics, and Optics
Surfaces and Interfaces

Cite this

Schatz, G. C., & Dyck, J. (1992). A reduced dimension quantum reactive scattering study of OH + CO⇌H + CO₂. Chemical Physics Letters, 188(1-2), 11-15. https://doi.org/10.1016/0009-2614(92)85080-T

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Access to Document

10.1016/0009-2614(92)85080-T