Kinetics and dynamics of the C(3P) + H2O reaction on a full-dimensional accurate triplet state potential energy surface
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
A full-dimensional accurate PES for the C(3P) + H2O reaction is developed using the PIP-NN method.
Funder
U.S. Department of Energy
National Natural Science Foundation of China
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://pubs.rsc.org/en/content/articlepdf/2017/CP/C7CP04578F
Reference56 articles.
1. Vibrational State Control of Bimolecular Reactions: Discovering and Directing the Chemistry
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3. Development of Accurate Quantum Dynamical Methods for Tetraatomic Reactions
4. Recent Advances in Quantum Dynamics of Bimolecular Reactions
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