A fast empirical method for the calculation of molecular polarizability.
A simple empirical method for the calculation of static molecular polarizability is described. The method is based on Slater's rules for the calculation of effective atomic nuclear shielding constants. The calculated molecular polarizabilities of a series of organic molecules correlated well (r = 0.98) with experimental measurements. Accurate calculated polarizabilities can be obtained rapidly by this method and may prove useful in deriving relationships between chemical structure and properties.
Glen
R C
RC
Department of Physical Sciences, Wellcome Research Laboratories, Beckenham, Kent, U.K.
D004563:Electrochemistry; D004583:Electrons; D008956:Models, Chemical; D011789:Quantum Theory; D013223:Statistics as Topic