Combined DFT, QCISD(T), and G2 mechanism investigation for the reactions of carbon monophosphide CP with unsaturated hydrocarbons allene CH2CCH2 and methylacetylene CH3CCH.

Yan-Li Zhao Wei Kan Hua Zhong Hai-Tao Yu Hong-Gang Fu Combined DFT, QCISD(T), and G2 mechanism investigation for the reactions of carbon monophosphide CP with unsaturated hydrocarbons allene CH2CCH2 and methylacetylene CH3CCH. 1221-1233 2007 28 Journal of Computational Chemistry 7 http://dx.doi.org/10.1002/jcc.20611 db/journals/jcc/jcc28.html#ZhaoKZYF07