Multicenter bonding within the AIM theory

This study reports the incorporation of recently proposed formalism for the detection and localization of multicenter bonding in molecules, the so-called generalized population analysis, into the framework of the atoms in molecules (AIM) theory. The reliability of this new approach is tested by dire...

Descripción completa

Guardado en:

Detalles Bibliográficos
Autor principal:	Bochicchio, Roberto Carlos
Publicado:	2001
Materias:	AIM theory Chemical bonding Multicenter bonds
Acceso en línea:	https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_1432881X_v105_n4-5_p292_Bochicchio http://hdl.handle.net/20.500.12110/paper_1432881X_v105_n4-5_p292_Bochicchio
Aporte de:	Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires

id	paper:paper_1432881X_v105_n4-5_p292_Bochicchio
record_format	dspace
spelling	paper:paper_1432881X_v105_n4-5_p292_Bochicchio2023-06-08T16:14:12Z Multicenter bonding within the AIM theory Bochicchio, Roberto Carlos AIM theory Chemical bonding Multicenter bonds This study reports the incorporation of recently proposed formalism for the detection and localization of multicenter bonding in molecules, the so-called generalized population analysis, into the framework of the atoms in molecules (AIM) theory. The reliability of this new approach is tested by direct numerical comparison of the values of multicenter bond indices derived from both the original and the AIM-generalized forms of the population analysis. Fil:Bochicchio, R. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina. 2001 https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_1432881X_v105_n4-5_p292_Bochicchio http://hdl.handle.net/20.500.12110/paper_1432881X_v105_n4-5_p292_Bochicchio
institution	Universidad de Buenos Aires
institution_str	I-28
repository_str	R-134
collection	Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA)
topic	AIM theory Chemical bonding Multicenter bonds
spellingShingle	AIM theory Chemical bonding Multicenter bonds Bochicchio, Roberto Carlos Multicenter bonding within the AIM theory
topic_facet	AIM theory Chemical bonding Multicenter bonds
description	This study reports the incorporation of recently proposed formalism for the detection and localization of multicenter bonding in molecules, the so-called generalized population analysis, into the framework of the atoms in molecules (AIM) theory. The reliability of this new approach is tested by direct numerical comparison of the values of multicenter bond indices derived from both the original and the AIM-generalized forms of the population analysis.
author	Bochicchio, Roberto Carlos
author_facet	Bochicchio, Roberto Carlos
author_sort	Bochicchio, Roberto Carlos
title	Multicenter bonding within the AIM theory
title_short	Multicenter bonding within the AIM theory
title_full	Multicenter bonding within the AIM theory
title_fullStr	Multicenter bonding within the AIM theory
title_full_unstemmed	Multicenter bonding within the AIM theory
title_sort	multicenter bonding within the aim theory
publishDate	2001
url	https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_1432881X_v105_n4-5_p292_Bochicchio http://hdl.handle.net/20.500.12110/paper_1432881X_v105_n4-5_p292_Bochicchio
work_keys_str_mv	AT bochicchiorobertocarlos multicenterbondingwithintheaimtheory
_version_	1768546316928942080

Multicenter bonding within the AIM theory

Ejemplares similares