Atomic static polarizabilities
Springer Online Journal Archives 1860-2000
Chemistry and Pharmacology
Abstract A new empirical method is proposed to evaluate the average molecular polarizabilities assuming the additivity of atomic static polarizability. Atomic static polarizability for each atom in a particular valence state is obtained. Calculated molecular polarizabilities of 94 non-halogenated compounds and of the bases in nucleic acids show the excellent agreement with experimental data. To check the further validity of this method, dispersion coefficients for CH4, C2H6, C3H8,n−C4H10,n−C5H12,n−C6H14,n−C7H16,n−C8H18, H2, H2O and NH3 are obtained from a sum of atomic terms using a London-type formula, and are compared with the accurate values of dipole oscillator strength distribution (DOSD) method. The results show the excellent agreement between theory and experiment.
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