Article ID Journal Published Year Pages File Type
5393899 Computational and Theoretical Chemistry 2013 7 Pages PDF
Abstract

- Benchmark ab initio calculations of the elusive HO3 radical.
- The best-ever dissociation energy, vibrational properties, and dissociation paths.
- The first-ever a priori association rate constants for the HO + O2 → HO3 reaction.
- The latest experimental data are all well reproduced theoretically.
Keywords
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
Ab initio study of the elusive HO3(X2A″) radical and the HO(X2Π)+O2(X3Σg-)⇔HO3(X2A″) reaction
Authors
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