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- W1968850799 abstract "Allinger's molecular mechanics method, as implemented in the program MMPI, has been applied to the conformational analysis of divinylketone. The various conformers found are described, together with the corresponding interconversion processes and transition states, and the results are compared with those of ab initio calculations previously obtained by Skancke. In general, the two methods yield very similar findings, though the more intensive exploration of the potential surface possible with MMPI has allowed the location of new singular points. Results for the mono- and dimethyl-derivatives are also presented." @default.
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- W1968850799 date "1986-04-01" @default.
- W1968850799 modified "2023-10-18" @default.
- W1968850799 title "Conformational analysis of divinylketones by molecular mechanics (MMPI)" @default.
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- W1968850799 doi "https://doi.org/10.1016/0166-1280(86)80148-8" @default.
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