Electron-density topology in molecular systems: Paired and unpaired densities

This work studies the partitioning of the electron density into two contributions which are interpreted as the paired and the effectively unpaired electron densities. The topological features of each density field as well as of the total density are described localizing the corresponding critical po...

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Detalles Bibliográficos
Autor principal:	Bochicchio, Roberto Carlos
Publicado:	2005
Materias:	Electron-density topology Molecular systems Population analysis Unpaired densities Carrier concentration Chemical bonds Integration Molecules Population statistics Topology Molecular dynamics
Acceso en línea:	https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_00219606_v123_n14_p_Lobayan http://hdl.handle.net/20.500.12110/paper_00219606_v123_n14_p_Lobayan
Aporte de:	Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires

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