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- W65352689 abstract "The potential energy surface for the enantiomerization of the methane molecule was investigated by the MINDO/3 method and the ab initio method (with the STO-3G and 4-31G basis sets). According to data from the MINDO/3 calculations, the transition states in the enantiomerization of the methane molecule by the tetrahedral compression and digonal twist mechanisms have identical structures with C/sub s/ symmetry and nonequivalent CH bond lengths. The ab initio method in the two basis sets does not reveal a transition state for the enantiomerization of the methane molecule." @default.
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- W65352689 date "1988-04-10" @default.
- W65352689 modified "2023-09-23" @default.
- W65352689 title "Stereochemical reaction rates paths in the enantiotopomerization of methane" @default.
- W65352689 hasPublicationYear "1988" @default.
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