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- W1970516785 abstract "This work describes the partitioning of the electronic energy in systems in which the atoms in molecules theory predicts the existence of non-nuclear attractors. The procedure is based on our previous proposals within studies of topological population analysis [D.R. Alcoba, L. Lain, A. Torre, R.C. Bochicchio, Chem. Phys. Lett. 407 (2005) 379]. Numerical determinations in the acetylene and dilithium molecules are reported and compared with those arising from other approaches." @default.
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- W1970516785 date "2006-08-01" @default.
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- W1970516785 title "Treatment of non-nuclear attractors within the theory of atoms in molecules II: Energy decompositions" @default.
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- W1970516785 doi "https://doi.org/10.1016/j.cplett.2006.05.065" @default.
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