The induction contribution to the lattice energy of organic crystals
A recently developed method for generating distributed, localized atomic polarizabilities from the ab initio molecular charge density is used to assess the importance of the induction energy in crystal structures of small organic molecules. Two models are first contrasted based on large cluster repr...
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University College London (University of London)
2010
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| Online Access: | http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.565033 |