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• W2081156682 abstract "A simple algebraic model is used to show that Hirshfeld surfaces in condensed phases may be understood as approximations to the interatomic surfaces of the theory of atoms in molecules. The conditions under which this similarity is valid are explored, and both kinds of surfaces are calculated in the LiF and CS2 crystals to illustrate the main results. The link between Hirshfeld and interatomic surfaces provides a physical ground to understand the usage of the former to visualize intermolecular interactions." @default.
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• W2081156682 date "2002-07-03" @default.
• W2081156682 modified "2023-10-17" @default.
• W2081156682 title "Hirshfeld surfaces as approximations to interatomic surfaces" @default.
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• W2081156682 doi "https://doi.org/10.1063/1.1483851" @default.
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