Quantum dynamics and kinetics of the abstraction reactions by H atoms of primary and secondary hydrogens in C3H8

Quantum dynamics and kinetics of the abstraction reactions by H atoms of primary and secondary hydrogens in C3H8

The abstraction reaction of H atoms with propane molecules presents two concurrent channels. In this work we have determined the specific rate constants and the product branching ratios (BRs) between the two channels using quantum chemistry calculations and reduced dimensionality quantum dynamics. T...

書目詳細資料
Main Authors:	Kerkeni, B, Clary, D
格式:	Journal article
語言:	English
出版:	2005

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