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• W2079008890 abstract "A set of constrained force constants has been derived from experimental vibrational frequency data for eighty three octahedral molecules. Superimposing the condition that the larger value for fd—fdd′ be used when fdα—fdα″ is a maximum on the six equations relating vibrational frequencies to force constants generates a seventh. This provides a uniform set of results for all 83 molecules. The values of the force constants have a simple rationale in terms of chemical bonding theory. Some preliminary calculations for SF6 show that these force constants are suitable for use in generating reliable molecular dynamical trajectory data." @default.
• W2079008890 created "2016-06-24" @default.
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• W2079008890 date "1987-01-01" @default.
• W2079008890 modified "2023-10-04" @default.
• W2079008890 title "Constrained force constants for octahedral molecules" @default.
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• W2079008890 doi "https://doi.org/10.1016/0584-8539(87)80130-7" @default.
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