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- aggregation classification "C3".
- aggregation creator B33930.
- aggregation creator person.
- aggregation creator person.
- aggregation creator person.
- aggregation date "2010".
- aggregation format "application/pdf".
- aggregation hasFormat 1073785.bibtex.
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- aggregation language "eng".
- aggregation publisher "Koninklijke Vlaamse Chemische Vereniging (KVCV)".
- aggregation rights "I have retained and own the full copyright for this publication".
- aggregation subject "Chemistry".
- aggregation title "A new variational, information theory based atoms in molecules method".
- aggregation abstract "A new iterative Hirshfeld type AIM method, called Hirshfeld-I-Lambda, is presented. The weight function that defines the AIM is constructed by minimizing the information loss on formation of the molecule, with explicitly requiring that the promolecular densities integrate to the same number of electrons as the AIM densities constructed. The atoms defined by this AIM method are the ones that minimize the information lost upon formation of the molecule out of its isolated atoms. The resulting Hirshfeld-I-Lambda AIM scheme is examined and discussed.".
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