A new approach to the definition of the
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R.G.A.R. MacLagan
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Article
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1971
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Elsevier Science
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English
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The partitioning of the geometric space of a molecule rather thanthe function space of the orbital basis set, as the starting point for the definition of effective atomic charges is Investigated. Numbers obtained for some simple diatonic molecules using lpotentialV and 'force' criteria are reported