Title : Reaction kinetics of hydrogen atom abstraction from isopentanol by the H atom and HO2˙ radical.

Pub. Date : 2018 Apr 25

PMID : 29533404






4 Functional Relationships(s)
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1 Reaction kinetics of hydrogen atom abstraction from isopentanol by the H atom and HO2 radical. Hydrogen heme oxygenase 2 Homo sapiens
2 In this study, rate constants are determined for the hydrogen atom abstraction reactions from isopentanol by the H atom and HO2 radical by implementing the CBS-QB3 composite method. Hydrogen heme oxygenase 2 Homo sapiens
3 The formation of hydrogen bonding is found to affect the kinetics of the H atom abstraction reactions by the HO2 radical. Hydrogen heme oxygenase 2 Homo sapiens
4 Further above 750 K, the calculated high pressure limit rate constants indicate that the total contribution from delta carbon sites (Cdelta) is predominant for hydrogen atom abstraction by the H atom and HO2 radical. Hydrogen heme oxygenase 2 Homo sapiens