A Simple Picture for the Rotational Enhancement of the Rate for the F + HCl → HF + Cl Reaction: A Dynamical Study Using a New ab initio Potential Energy Surface-Reference-Cited by-同舟云学术

A Simple Picture for the Rotational Enhancement of the Rate for the F + HCl → HF + Cl Reaction: A Dynamical Study Using a New ab initio Potential Energy Surface

Published:2005-10-18 Issue:2 Volume:110 Page:436-444
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Hayes Michael Y.¹,Deskevich Michael P.¹,Nesbitt David J.¹,Takahashi Kaito¹,Skodje Rex T.¹

Affiliation:

1. Department of Chemistry and Biochemistry, University of Colorado, Boulder Colorado 80309, Institute of Atomic and Molecular Sciences, Academia Sinica, P.O. Box 23-166 Taipei, Taiwan, and JILA, University of Colorado and National Institute of Standards and Technology, Boulder, Colorado 80309

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp0535745

Reference54 articles.

1. The Adiabatic Theory of Heavy-Light-Heavy Chemical Reactions*

2. Effect of reagent rotation on product energy disposal in the light atom transfer reaction O(3P)+HCl(v=2,J=1,6,9)→OH(v’,N’)+Cl(2P)

3. Experimental and theoretical study of the O+HCl transition state region by photodetachment of OHCl−

4. Accurate Quantum Dynamics of the Light Atom Transfer Chemical Reaction O + HCl .fwdarw. OH + Cl

5. Time-dependent quantum studies of the O(3P)+HCl(X 1Σ+) reaction

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