Thermal and State-Selected Rate Coefficients for the O(3P) + HCl Reaction and New Calculations of the Barrier Height and Width-Reference-Cited by-同舟云学术

Thermal and State-Selected Rate Coefficients for the O(3P) + HCl Reaction and New Calculations of the Barrier Height and Width

Published:2001-01-31 Issue:11 Volume:105 Page:2298-2307
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Skokov Sergei¹,Zou Shengli¹,Bowman Joel M.¹,Allison Thomas C.¹,Truhlar Donald G.¹,Lin Yongjing¹,Ramachandran B.¹,Garrett Bruce C.¹,Lynch Benjamin J.¹

Affiliation:

1. Department of Chemistry, Emory University, 1515 Pierce Drive, Atlanta, Georgia 30322, Experimental Kinetics and Thermodynamics Group, National Institute of Standards and Technology, 100 Bureau Drive, Stop 8381, Gaithersburg, Maryland 20899-8381, Department of Chemistry and Supercomputer Institute, University of Minnesota, Minneapolis, Minnesota 55455-0431, Chemistry, P.O. Box 10348, Louisiana Tech University, Ruston, Louisiana 71272, and Environmental Molecular Sciences Laboratory, Pacific Northwest...

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp003783j

Reference84 articles.

1. A comparative study of the quantum dynamics and rate constants of the O(3P)+HCl reaction described by two potential surfaces

2. Dynamics of the O(3P)+HCl reaction on the 3A″ electronic state: A new ab initio potential energy surface, quasi-classical trajectory study, and comparison to experiment

3. A new semi-empirical method of correcting large-scale configuration interaction calculations for incomplete dynamic correlation of electrons

4. Energy disposal in the O(3P)+HCl reaction: Classical dynamics and comparison to experiment

5. 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)

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