A Full-Dimensional Potential Energy Surface and Dynamics of the Multichannel Reaction between H and HO2
Author:
Affiliation:
1. School of Chemistry and Chemical Engineering & Chongqing Key Laboratory of Theoretical and Computational Chemistry, Chongqing University, Chongqing 401331, China
Funder
Natural Science Foundation of Chongqing
National Natural Science Foundation of China
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.0c11213
Reference89 articles.
1. Reaction and electronic excitation in crossed-beams collisions of low-energy O(3P) atoms withH2O andCO2
2. A simple and efficient CCSD(T)-F12 approximation
3. Simplified CCSD(T)-F12 methods: Theory and benchmarks
4. Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen
5. Electron affinities of the first‐row atoms revisited. Systematic basis sets and wave functions
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