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- W2017662442 abstract "The decomposition pathways of chloromethanol have been studied by ab initio calculation. Equilibriums and transition states have been optimized at the UMP2(full)/6–31G(d) level. The single point energies have been obtained at higher level of G3 (MP2). Four transition states and eight reaction pathways have been revealed and the most favorable reaction to decomposition pathway is the 1, 2-HCI elimination, which is consistent with the former scientist's conclusion." @default.
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- W2017662442 date "2010-08-26" @default.
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- W2017662442 title "Theoretical Study of the Unimolecular Decomposition Mechanism of Chloromethanol" @default.
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- W2017662442 doi "https://doi.org/10.1002/cjoc.20010190804" @default.
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