Rovibrational-Specific QCT and Master Equation Study on N2(X1Σg+) + O(3P) and NO(X2Π) + N(4S) Systems in High-Energy Collisions
Author:
Affiliation:
1. Center for Hypersonics and Entry Systems Studies (CHESS), University of Illinois at Urbana-Champaign, Urbana, Illinois 61801, United States
Funder
Office of Naval Research
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.1c10346
Reference61 articles.
1. Calculated potential surfaces for the reactions: O+N2→NO+N and N+O2→NO+O
2. Thermal rate constants of the N2+O→NO+N reaction using ab initio 3A″ and 3A′ potential energy surfaces
3. Ab initio derived analytical fits of the two lowest triplet potential energy surfaces and theoretical rate constants for the N(4S)+NO(X 2Π) system
4. Ab initiostate-specific N2+ O dissociation and exchange modeling for molecular simulations
5. Reactive collisions for NO(2Π) + N(4S) at temperatures relevant to the hypersonic flight regime
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