Abstract
POINT charges located at the atom centres of conjugated molecules can be calculated using the Del Re procedure for σ electrons, the Huckel procedure for π electrons and the principle of σ–π additivity. Such point charges, calculated by this and other procedures, have been used in biophysical problems1–4. Can the very simple Del Re—Huckel procedure give reasonable values for the charges ? This report provides a partial answer by comparing observed dipole moments with those calculated from Del Re–Huckel charges obtained with established sets of the necessary parameters5,6.
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