INVESTIGADORES
ALCOBA Diego Ricardo
artículos
Título:
Treatments of non-nuclear attractors within the theory of atoms in molecules
Autor/es:
D.R. ALCOBA; L. LAIN; A. TORRE; R.C. BOCHICCHIO
Revista:
CHEMICAL PHYSICS LETTERS
Editorial:
Elsevier B.V.
Referencias:
Lugar: Amsterdam; Año: 2005 vol. 407 p. 379 - 383
ISSN:
0009-2614
Resumen:
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.
