Issue 15, 1974

MINDO/3 calculations of molecular electric polarizabilities

Abstract

A formalism is developed for calculating molecular electric polarizabilities by the MINDO/3 semiempirical SCF MO method, using finite perturbation theory; the results for a number of molecules agree well with experiment.

Article information

Article type
Paper

J. Chem. Soc., Chem. Commun., 1974, 611-612

MINDO/3 calculations of molecular electric polarizabilities

M. J. S. Dewar, R. C. Haddon and S. H. Suck, J. Chem. Soc., Chem. Commun., 1974, 611 DOI: 10.1039/C39740000611

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