Covalent bond indices and ionicities from similarity measures

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This work proposes the use of the mathematical concepts of similarity and distance in metric spaces to relate the covalency and ionicity indices of chemical bondings. Numerical results arising from the Bray-Curtis and divergence measures are reported and discussed in selected molecules. The procedur...

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Detalles Bibliográficos
Autor principal: Bochicchio, Roberto Carlos
Publicado: 2007
Materias:
Covalent bonds
Molecular dynamics
Numerical analysis
Bray-Curtis
Covalency
Ionicity
Metric spaces
Ionic strength
Acceso en línea:https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_00092614_v442_n1-3_p157_Alcoba
http://hdl.handle.net/20.500.12110/paper_00092614_v442_n1-3_p157_Alcoba
Aporte de:
Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires
id paper:paper_00092614_v442_n1-3_p157_Alcoba
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spelling paper:paper_00092614_v442_n1-3_p157_Alcoba2023-06-08T14:33:50Z Covalent bond indices and ionicities from similarity measures Bochicchio, Roberto Carlos Covalent bonds Molecular dynamics Numerical analysis Bray-Curtis Covalency Ionicity Metric spaces Ionic strength This work proposes the use of the mathematical concepts of similarity and distance in metric spaces to relate the covalency and ionicity indices of chemical bondings. Numerical results arising from the Bray-Curtis and divergence measures are reported and discussed in selected molecules. The procedure opens new possibilities to define and to relate complementary quantities. © 2007. Fil:Bochicchio, R.C. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina. 2007 https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_00092614_v442_n1-3_p157_Alcoba http://hdl.handle.net/20.500.12110/paper_00092614_v442_n1-3_p157_Alcoba
institution Universidad de Buenos Aires
institution_str I-28
repository_str R-134
collection Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA)
topic Covalent bonds
Molecular dynamics
Numerical analysis
Bray-Curtis
Covalency
Ionicity
Metric spaces
Ionic strength
spellingShingle Covalent bonds
Molecular dynamics
Numerical analysis
Bray-Curtis
Covalency
Ionicity
Metric spaces
Ionic strength
Bochicchio, Roberto Carlos
Covalent bond indices and ionicities from similarity measures
topic_facet Covalent bonds
Molecular dynamics
Numerical analysis
Bray-Curtis
Covalency
Ionicity
Metric spaces
Ionic strength
description This work proposes the use of the mathematical concepts of similarity and distance in metric spaces to relate the covalency and ionicity indices of chemical bondings. Numerical results arising from the Bray-Curtis and divergence measures are reported and discussed in selected molecules. The procedure opens new possibilities to define and to relate complementary quantities. © 2007.
author Bochicchio, Roberto Carlos
author_facet Bochicchio, Roberto Carlos
author_sort Bochicchio, Roberto Carlos
title Covalent bond indices and ionicities from similarity measures
title_short Covalent bond indices and ionicities from similarity measures
title_full Covalent bond indices and ionicities from similarity measures
title_fullStr Covalent bond indices and ionicities from similarity measures
title_full_unstemmed Covalent bond indices and ionicities from similarity measures
title_sort covalent bond indices and ionicities from similarity measures
publishDate 2007
url https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_00092614_v442_n1-3_p157_Alcoba
http://hdl.handle.net/20.500.12110/paper_00092614_v442_n1-3_p157_Alcoba
work_keys_str_mv AT bochicchiorobertocarlos covalentbondindicesandionicitiesfromsimilaritymeasures
_version_ 1768544438402940928

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