Theoretical Study of the Validity of the Polanyi Rules for the Late-Barrier Cl + CHD3 Reaction-Reference-Cited by-同舟云学术

Theoretical Study of the Validity of the Polanyi Rules for the Late-Barrier Cl + CHD3 Reaction

Published:2012-11-09 Issue:23 Volume:3 Page:3416-3419
ISSN:1948-7185
Container-title:The Journal of Physical Chemistry Letters
language:en
Short-container-title:J. Phys. Chem. Lett.

Author:

Zhang Zhaojun¹,Zhou Yong¹,Zhang Dong H.¹,Czakó Gábor²,Bowman Joel M.²

Affiliation:

1. State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023, Liaoning, China

2. Cherry L. Emerson Center for Scientific Computation and Department of Chemistry, Emory University, Atlanta, Georgia 30322, United States

Publisher

American Chemical Society (ACS)

Subject

General Materials Science,Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jz301649w

Reference30 articles.

1. Concepts in reaction dynamics

2. State‐to‐state reaction rates: Ba+HF(v=0,1) → BaF(v=0–12)+H

3. Vibrational–rotational excitation. Chemical reactions of vibrationally excited molecules

4. A quasiclassical trajectory study of the state-to-state dynamics of atomic hydrogen + water .fwdarw. hydroxyl + molecular hydrogen

5. Bond‐selected bimolecular chemistry: H+HOD(4νOH)→OD+H2

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