Ahmad Amiri
Department of Chemistry, Yazd University, Yazd, Iran
[ 1 ] - Theoretical Study on the Kinetics of the Reaction of C2H with C2H2
In this theoretical research, the mechanism of the C2H + C2H2 reaction is studied by high-level quantum-chemical methods and kinetics of the reaction is investigated by statistical rate theories. High-level electronic structure calculation methods including M06-2X, CCSD(T), CBS-Q and G4 methods are employed to explore the doublet potential energy surface of the reaction and compute the molecula...
نویسندگان همکار