DFT and Ab initio direct dynamics studies on the hydrogen abstraction reactions of chlorine atoms with CH4-nFn (n = 1-3) - researchr publication

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Jing-Fa Xiao, Ze-Sheng Li, Jing-Yao Liu, Li Sheng, Chia-Chung Sun. DFT and Ab initio direct dynamics studies on the hydrogen abstraction reactions of chlorine atoms with CH4-nFn (n = 1-3). Journal of Computational Chemistry, 23(15):1456-1465, 2002. [doi]

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