The calculation of electronic charges in molecules using a simplified semi-empirical 'atoms in molecules' method
This thesis describes an approach to the problem of computing electronic charge distributions in molecules. The molecule is treated as a collection of atoms in assumed valence states. Sigma and pi electrons are separated from each other. The sigma electron distribution is computed using a valence st...
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University of Warwick
1974
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| Online Access: | http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.595036 |