Determination of Atomic Valence Indices from Population Analyses at Correlated Level

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This work carries out a study of atomic valences within molecular systems based on Mulliken and topological population analyses at correlated level. The use of the unpaired electron densities leads to suitable relationships between valences, free valence indices, and bond indices, which turn out to...

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Detalles Bibliográficos
Autores principales:	Bochicchio, R., Lain, L., Torre, A.
Formato:	JOUR
Materias:	Bond indices Population analysis Valences Atomic physics Chemical bonds Molecular dynamics Molecular orientation
Acceso en línea:	http://hdl.handle.net/20.500.12110/paper_01928651_v24_n15_p1902_Bochicchio
Aporte de:	Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires

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