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
Link To Document :
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