Theoretical characterization of the minimum energy path for the reaction H+O2→HO2*→HO+O
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.454466
Reference13 articles.
1. A potential energy function for the hydroperoxyl radical
2. The potential energy surface of the HO2 molecular system
3. Theoretical study of the four lowest doublet electronic states of the hydroperoxyl radical: Application to photodissociation
4. Theoretical characterization of the potential energy curve for hydrogen atom addition to molecular oxygen
5. Variational transition state theory calculations for an atom–radical reaction with no saddle point: O+OH
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2. Electron-ion dynamics of hydroperoxyl radical under intense femtosecond laser pulses;International Journal of Modern Physics B;2020-11-13
3. Pathways to Triplet or Singlet Oxygen during the Dissociation of Alkali Metal Superoxides: Insights by Multireference Calculations of Molecular Model Systems;Chemistry – A European Journal;2020-01-21
4. Molecular Dynamics of Combustion Reactions in Supercritical Carbon Dioxide. 6. Computational Kinetics of Reactions between Hydrogen Atom and Oxygen Molecule H + O2 ⇌ HO + O and H + O2 ⇌ HO2;The Journal of Physical Chemistry A;2019-12-10
5. Probing the surface structure of hydroxyapatite through its interaction with hydroxyl: a first-principles study;RSC Advances;2018
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