Stereodynamical control of product branching in multi-channel barrierless hydrogen abstraction of CH3OH by F
Author:
Affiliation:
1. School of Chemistry and Chemical Engineering
2. Chongqing University
3. Chongqing 401331
4. China
5. Department of Chemistry and Chemical Biology
6. University of New Mexico
7. Albuquerque
8. USA
Abstract
Comprehensive dynamical simulations of a prototypical multi-channel reaction on a globally accurate potential energy surface show that the non-statistical product branching is dictated by unique stereodynamics in the entrance channels.
Funder
Basic Energy Sciences
National Natural Science Foundation of China
Publisher
Royal Society of Chemistry (RSC)
Subject
General Chemistry
Link
http://pubs.rsc.org/en/content/articlepdf/2019/SC/C9SC02445J
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