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• W2000209719 abstract "A method is presented which permits calculation of a complete set of force constants from the vibrational frequencies and the geometry of a molecule without additional data by means of a digital computer. The eigenvalues containing the vibrational frequencies are connected with the force constant matrix by the Cayley—Hamilton theorem. This is resolved by the Newton method. As a first approximation the normal vibrations are assumed to be completely uncoupled. Then the known interactions of the kinetic energy are introduced stepwise and so a set of force constants is obtained which contains all interaction terms of the potential energy." @default.
• W2000209719 created "2016-06-24" @default.
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• W2000209719 date "1965-05-01" @default.
• W2000209719 modified "2023-09-30" @default.
• W2000209719 title "Verwendung einer neuer Methode zur Berechnung von Kraftkonstanten" @default.
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• W2000209719 doi "https://doi.org/10.1016/0371-1951(65)80168-0" @default.
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