Article ID Journal Published Year Pages File Type
9578211 Chemical Physics Letters 2005 5 Pages PDF
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
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