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Theoretical study of the reactions of propargyl radical with methanol and ethanol

Tian, PZ; Shi, G

Shi, G (corresponding author), Tianjin Univ, State Key Lab Engines, Tianjin, Peoples R China.

MOLECULAR PHYSICS, 2021; 119 (14):

Abstract

The C3H3 center dot + CH3OH and C3H3 center dot + C2H5OH reactions were characterised using MP2 and M06-2X theories. For the two reactions, a total of......

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