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Treatments of Non-nuclear Attractors Within the Theory of Atoms in Molecules by Diego R. Alcoba; Luis Lain; Alicia Torre; Roberto C. Bochicchio is a Physics and Astronomy article available to read on EtoBox.

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This Letter describes simple procedures to deal with non-nuclear attractors which are found in some results arising from topological population analyses of the molecular electron density. The proposed treatments have been applied to determine atomic electron populations and bond orders in the acetylene and dilithium molecules, achieving satisfactory chemical results. A detailed discussion of our proposals is reported.

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Author

Diego R. Alcoba; Luis Lain; Alicia Torre; Roberto C. Bochicchio

Publisher

Elsevier BV

Published

2005

Language

EN

Field

Physics and Astronomy (Physical Sciences)