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Royal Society of Chemistry, Physical Chemistry Chemical Physics, 25(21), p. 13766-13775, 2019

DOI: 10.1039/c9cp02206f

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Anab initiobased full-dimensional potential energy surface for OH + O2⇄ HO3and low-lying vibrational levels of HO3

Journal article published in 2019 by Xixi Hu ORCID, Junxiang Zuo ORCID, Changjian Xie ORCID, Richard Dawes ORCID, Hua Guo ORCID, Daiqian Xie ORCID
This paper was not found in any repository, but could be made available legally by the author.
This paper was not found in any repository, but could be made available legally by the author.

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Abstract

A full-dimensional potential energy surface for HO3, including the HO + O2dissociation asymptote, is developed and rigorous quantum dynamics calculations based on this PES have been carried out to compute the vibrational energy levels of HO3.