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• W1993485967 abstract "Abstract A new type of internal coordinates referred to as Keating's bending is defined. A generalized bending is also introduced and includes the ordinary (Decius') bending, Keating's bending and the nonbond interatomic distance deviation as special cases. The theory is applied to the planar symmetrical XY3 molecular model, for which the mean-square amplitude quantities are treated in particular. The Keating Force Field (KFF) is defined in analogy with the well-known VFF (Valence Force Field) and CFF (Central Force Field). Numerical computations are performed for SO3. From the calculated Coriolis constants it is deduced that the KFF is much superior to both of the other approximations. An “exact” force field is produced by means of an experimental Coriolis constant as additional data. The force field is presented in terms of the valence, central and Keating coordinates. The analysis confirms that the Keating coordinates (which involve Keating's bendings) in this case of SO3 are best suited as the basis of a force field approximation. Calculated mean amplitudes of vibration and the Bastiansen—Morino shrinkage effect are reported." @default.
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• W1993485967 date "1985-01-01" @default.
• W1993485967 modified "2023-09-27" @default.
• W1993485967 title "Molecular vibrations of sulphur trioxide: Application of the Keating bendings" @default.
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• W1993485967 doi "https://doi.org/10.1016/0584-8539(85)80114-8" @default.
• W1993485967 hasPublicationYear "1985" @default.
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