Ab initio theoretical calculation and potential energy surface for ground-state HO3
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Reference24 articles.
1. Experimental Detection of Hydrogen Trioxide
2. Ab initio studies of interoxygen bonding in O2, HO2, H2O2, O3, HO3, and H2O3
3. Ab initio SCF Calculations on the Species HO3, HO3+ and HO3- and an Estimate of the Stability of HO3 Relative to OH and Different States of O2.
4. CAS SCF and contracted CI calculations on the HO3 radical
5. Mechanism of the H+O3 reaction
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1. Collaborative control of branching ratio in the O + HO 2 → OH + O 2 reaction via vibrational and rotational excitation;Journal of the Chinese Chemical Society;2022-10-19
2. Reaction Pathway Control via Reactant Vibrational Excitation and Impact on Product Vibrational Distributions: The O + HO2 → OH + O2 Atmospheric Reaction;The Journal of Physical Chemistry Letters;2022-02-17
3. Theoretical H + O3 rate coefficients from ring polymer molecular dynamics on an accurate global potential energy surface: assessing experimental uncertainties;Physical Chemistry Chemical Physics;2021
4. Theoretical Investigations of Rate Coefficients for H + O3 and HO2 + O Reactions on a Full-Dimensional Potential Energy Surface;The Journal of Physical Chemistry A;2020-07-19
5. Riddles of the structure and vibrational dynamics of HO3 resolved near the ab initio limit;The Journal of Chemical Physics;2019-09-07
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