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Consideration of vibrational anharmonicity by scaled corrections to the force constants

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Abstract

A method is proposed for introducing scaled corrections to a harmonic force field to take account of vibrational anharmonicity. All the spectra were satisfactorily described by the introduction of only three scaling coefficients in the case of methane and ethane isotopomers.

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Authors
  1. G. G. D'yachenko
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Additional information

P. N. Lebedev Institute of Physics, Russian Academy of Sciences. Translated from Zhurnal Strukturnoi Khimii, Vol. 34, No. 1, pp. 77–82, January–February, 1993.

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D'yachenko, G.G. Consideration of vibrational anharmonicity by scaled corrections to the force constants. J Struct Chem 34, 68–73 (1993). https://doi.org/10.1007/BF00745403

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  • DOI: https://doi.org/10.1007/BF00745403

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