Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
9578211 | Chemical Physics Letters | 2005 | 5 Pages |
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.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Diego R. Alcoba, Luis Lain, Alicia Torre, Roberto C. Bochicchio,