Title : Theoretical Investigations of Rate Coefficients of H + H2O2 → OH + H2O on a Full-Dimensional Potential Energy Surface.

Pub. Date : 2019 May 9

PMID : 30990703






2 Functional Relationships(s)
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1 The RPMD rate coefficients for H + H2O2 OH + H2O are larger than H + H2O2 H2 + HO2, but at very low temperatures below the room temperature, the H2 + HO2 channel becomes dominant due to significant quantum tunneling effects in the H atom transfer process. Hydrogen Peroxide heme oxygenase 2 Homo sapiens
2 The RPMD rate coefficients for H + H2O2 OH + H2O are larger than H + H2O2 H2 + HO2, but at very low temperatures below the room temperature, the H2 + HO2 channel becomes dominant due to significant quantum tunneling effects in the H atom transfer process. Hydrogen Peroxide heme oxygenase 2 Homo sapiens