Theoretical calculation of vibrational p
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D. Rinaldi; M.F. Ruiz-Lopez; M.T.C.Martins Costa; J.L. Rivail
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Article
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1986
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Elsevier Science
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English
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The vibrational polarizability tensor is linked to the force constant and dipole moment derivative matrices. The analytical computation of these quantities is possible, in particular by using semi-empirical quantum-chemical methods. The electrostatic influence of liquid surroundings can be analyzed