Title of article
Treatments of non-nuclear attractors within the theory of atoms in molecules
Author/Authors
Manuel Alcoba-Leza، نويسنده , , Diego R. and Lain، نويسنده , , Luis and Torre، نويسنده , , Alicia and Bochicchio، نويسنده , , Roberto C.، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 2005
Pages
5
From page
379
To page
383
Abstract
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.
Journal title
Chemical Physics Letters
Serial Year
2005
Journal title
Chemical Physics Letters
Record number
1915430
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