论文信息 - A new procedure for calculating molecular polarizabilities; applications using MNDO

A new procedure for calculating molecular polarizabilities; applications using MNDO

Abstract A simple and effective method is described for calculating molecular polarizabilities in which the effect of an applied electron field is mimicked by an appropriate array of point changes. Calculations of polarizabilities for a number of molecules are reported, using the MNDO method.

James J. P. Stewart | Michael J. S. Dewar | M. Dewar | J. Stewart

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