MINDO/3 calculation of the atom—Atom self- and mutual polarizabilities for a hydrocarbon series |
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| Authors: | Yu B Vysotskii V V Volodarets É G Éilazyan L S Gutyrya |
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| Institution: | (1) Donbas Civil Engineering Institute, 1 Derzhavin St., 339023 Makeevka, Donetsk Oblast, Ukraine |
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| Abstract: | A MINDO/3 calculation based on the Hartree—Fock perturbation theory gave the atom—atom self- and mutual polarizabilities of a series of hydrocarbons. A study was carried out on the effect of the perturbation-induced distortion of the electron—electron interaction and molecular relaxation on the calculated values.Translated from Teoreticheskaya i Éksperimental'naya Khimiya, Vol. 31, No. 4, pp. 227–231, July–August, 1995. |
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