Global potential energy surface, vibrational spectrum, and reaction dynamics of the first excited (Ã A2′) state of HO2

Author:

Li Anyang,Xie Daiqian,Dawes Richard,Jasper Ahren W.,Ma Jianyi,Guo Hua

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Cited by 37 articles. 订阅此论文施引文献 订阅此论文施引文献,注册后可以免费订阅5篇论文的施引文献,订阅后可以查看论文全部施引文献

1. Influence of Singlet Oxygen in H + O2 Collision Reaction;The Journal of Physical Chemistry A;2024-08-14

2. An accurate many-body expansion potential energy surface for HO2 (X 2A″) by extrapolation to the complete basis set limit and quantum dynamics of the related reaction O(3P) + OH(2Π);Journal of Physics B: Atomic, Molecular and Optical Physics;2023-06-12

3. Accurate Full-Dimensional Global Diabatic Potential Energy Matrix for the Two Lowest-Lying Electronic States of the H + O2 ↔ HO + O Reaction;Journal of Chemical Theory and Computation;2023-05-10

4. Data Quality, Data Sampling and Data Fitting: A Tutorial Guide for Constructing Full-Dimensional Accurate Potential Energy Surfaces (PESs) of Molecules and Reactions;Challenges and Advances in Computational Chemistry and Physics;2023

5. On the kinetics and dynamics of the H + O2 (3Σg, −1Δg) => OH + H reaction;INTERNATIONAL CONFERENCE ON PHYSICS AND CHEMISTRY OF COMBUSTION AND PROCESSES IN EXTREME ENVIRONMENTS (COMPHYSCHEM’20-21) and VI INTERNATIONAL SUMMER SCHOOL “MODERN QUANTUM CHEMISTRY METHODS IN APPLICATIONS”;2020

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