Graphical Linking of MO Multicenter Bond Index and VB Structures : II- 5-c Rings and 6-c Heterocyclic Rings

Autores
Bollini, Carlos Guido; Giambiagi, Mario; Segre de Giambiagi, Myriam; Paiva de Figueiredo, Aloysio
Año de publicación
2001
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
Through the graphical method proposed, it is possible to create a link between an MO multicenter bond index and VB structures. The value of the index depends on the order of the atoms involved, if there are more than three. For 5-c rings, three basic structures are required; the eventually different values are 12. Unlike the 6-c case, it may happen that different pairs of basic structures are used to build the same polygon. For the 6-c rings, including heteroatoms, the original degeneracy of benzene splits, leading eventually to 60 different Iring values.
Facultad de Ciencias Exactas
Materia
Física
Ciencias Exactas
MO multicenter bond index
VB structures
5 -c rings
6 -c heterocyclic rings
Nivel de accesibilidad
acceso abierto
Condiciones de uso
http://creativecommons.org/licenses/by/4.0/
Repositorio
SEDICI (UNLP)
Institución
Universidad Nacional de La Plata
OAI Identificador
oai:sedici.unlp.edu.ar:10915/139350
Acceder
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oai_identifier_str oai:sedici.unlp.edu.ar:10915/139350
network_acronym_str SEDICI
repository_id_str 1329
network_name_str SEDICI (UNLP)
spelling Graphical Linking of MO Multicenter Bond Index and VB Structures : II- 5-c Rings and 6-c Heterocyclic RingsBollini, Carlos GuidoGiambiagi, MarioSegre de Giambiagi, MyriamPaiva de Figueiredo, AloysioFísicaCiencias ExactasMO multicenter bond indexVB structures5 -c rings6 -c heterocyclic ringsThrough the graphical method proposed, it is possible to create a link between an MO multicenter bond index and VB structures. The value of the index depends on the order of the atoms involved, if there are more than three. For 5-c rings, three basic structures are required; the eventually different values are 12. Unlike the 6-c case, it may happen that different pairs of basic structures are used to build the same polygon. For the 6-c rings, including heteroatoms, the original degeneracy of benzene splits, leading eventually to 60 different Iring values.Facultad de Ciencias Exactas2001info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionArticulohttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdf113-120http://sedici.unlp.edu.ar/handle/10915/139350enginfo:eu-repo/semantics/altIdentifier/issn/1040-0400info:eu-repo/semantics/altIdentifier/issn/1572-9001info:eu-repo/semantics/altIdentifier/doi/10.1023/a:1016692425299info:eu-repo/semantics/openAccesshttp://creativecommons.org/licenses/by/4.0/Creative Commons Attribution 4.0 International (CC BY 4.0)reponame:SEDICI (UNLP)instname:Universidad Nacional de La Platainstacron:UNLP2025-10-22T17:12:56Zoai:sedici.unlp.edu.ar:10915/139350Institucionalhttp://sedici.unlp.edu.ar/Universidad públicaNo correspondehttp://sedici.unlp.edu.ar/oai/snrdalira@sedici.unlp.edu.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:13292025-10-22 17:12:56.461SEDICI (UNLP) - Universidad Nacional de La Platafalse
dc.title.none.fl_str_mv Graphical Linking of MO Multicenter Bond Index and VB Structures : II- 5-c Rings and 6-c Heterocyclic Rings
title Graphical Linking of MO Multicenter Bond Index and VB Structures : II- 5-c Rings and 6-c Heterocyclic Rings
spellingShingle Graphical Linking of MO Multicenter Bond Index and VB Structures : II- 5-c Rings and 6-c Heterocyclic Rings
Bollini, Carlos Guido
Física
Ciencias Exactas
MO multicenter bond index
VB structures
5 -c rings
6 -c heterocyclic rings
title_short Graphical Linking of MO Multicenter Bond Index and VB Structures : II- 5-c Rings and 6-c Heterocyclic Rings
title_full Graphical Linking of MO Multicenter Bond Index and VB Structures : II- 5-c Rings and 6-c Heterocyclic Rings
title_fullStr Graphical Linking of MO Multicenter Bond Index and VB Structures : II- 5-c Rings and 6-c Heterocyclic Rings
title_full_unstemmed Graphical Linking of MO Multicenter Bond Index and VB Structures : II- 5-c Rings and 6-c Heterocyclic Rings
title_sort Graphical Linking of MO Multicenter Bond Index and VB Structures : II- 5-c Rings and 6-c Heterocyclic Rings
dc.creator.none.fl_str_mv Bollini, Carlos Guido
Giambiagi, Mario
Segre de Giambiagi, Myriam
Paiva de Figueiredo, Aloysio
author Bollini, Carlos Guido
author_facet Bollini, Carlos Guido
Giambiagi, Mario
Segre de Giambiagi, Myriam
Paiva de Figueiredo, Aloysio
author_role author
author2 Giambiagi, Mario
Segre de Giambiagi, Myriam
Paiva de Figueiredo, Aloysio
author2_role author
author
author
dc.subject.none.fl_str_mv Física
Ciencias Exactas
MO multicenter bond index
VB structures
5 -c rings
6 -c heterocyclic rings
topic Física
Ciencias Exactas
MO multicenter bond index
VB structures
5 -c rings
6 -c heterocyclic rings
dc.description.none.fl_txt_mv Through the graphical method proposed, it is possible to create a link between an MO multicenter bond index and VB structures. The value of the index depends on the order of the atoms involved, if there are more than three. For 5-c rings, three basic structures are required; the eventually different values are 12. Unlike the 6-c case, it may happen that different pairs of basic structures are used to build the same polygon. For the 6-c rings, including heteroatoms, the original degeneracy of benzene splits, leading eventually to 60 different Iring values.
Facultad de Ciencias Exactas
description Through the graphical method proposed, it is possible to create a link between an MO multicenter bond index and VB structures. The value of the index depends on the order of the atoms involved, if there are more than three. For 5-c rings, three basic structures are required; the eventually different values are 12. Unlike the 6-c case, it may happen that different pairs of basic structures are used to build the same polygon. For the 6-c rings, including heteroatoms, the original degeneracy of benzene splits, leading eventually to 60 different Iring values.
publishDate 2001
dc.date.none.fl_str_mv 2001
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
Articulo
http://purl.org/coar/resource_type/c_6501
info:ar-repo/semantics/articulo
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv http://sedici.unlp.edu.ar/handle/10915/139350
url http://sedici.unlp.edu.ar/handle/10915/139350
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/issn/1040-0400
info:eu-repo/semantics/altIdentifier/issn/1572-9001
info:eu-repo/semantics/altIdentifier/doi/10.1023/a:1016692425299
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
http://creativecommons.org/licenses/by/4.0/
Creative Commons Attribution 4.0 International (CC BY 4.0)
eu_rights_str_mv openAccess
rights_invalid_str_mv http://creativecommons.org/licenses/by/4.0/
Creative Commons Attribution 4.0 International (CC BY 4.0)
dc.format.none.fl_str_mv application/pdf
113-120
dc.source.none.fl_str_mv reponame:SEDICI (UNLP)
instname:Universidad Nacional de La Plata
instacron:UNLP
reponame_str SEDICI (UNLP)
collection SEDICI (UNLP)
instname_str Universidad Nacional de La Plata
instacron_str UNLP
institution UNLP
repository.name.fl_str_mv SEDICI (UNLP) - Universidad Nacional de La Plata
repository.mail.fl_str_mv alira@sedici.unlp.edu.ar
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score 12.982451

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