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- W2007550929 abstract "The hydrogen-migration mechanism of the fragmentation of the methyl formate under electron impact has been discussed from the standpoint of the all-valence electron semi-empirical SCF-MO theory (CNDO/2-Unrestricted Hartree Fock), assuming the following models: (Remark: Graphics omitted.) The model for the hydrogen migration and the possible driving force are presented based on the partition method. The localized MO calculation has been carried out, by the “energy localization” method of the MINDO MO’s, for the origin and the terminus of the migration as an aid to the understanding of the migration. Although the possibility of the hydrogen migration in other models can not always be neglected, the hydrogen migration via Model 1 may be estimated to be energetically favorable, judging from the variation in the total energy and the conformation influence." @default.
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- W2007550929 date "1978-07-01" @default.
- W2007550929 modified "2023-09-26" @default.
- W2007550929 title "A Theoretical Approach to the Rearranged Ion in the Mass Spectrum of Methyl Formate" @default.
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- W2007550929 doi "https://doi.org/10.1246/bcsj.51.1931" @default.
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