The use of ab initio quantum molecular s
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Miquel Solà; Jordi Mestres; Josep M. Oliva; Miquel Duran; Ramon Carbó
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Article
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1998
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John Wiley and Sons
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English
⚖ 975 KB
Exact quantum molecular overlaplike and Coulomb-like self-similarity measures are studied in a selected series of molecules with the same number of electrons. It is found that quantum molecular overlap self-similarity measures can be used to estimate the concentration of electronic charge in molecul