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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Autores principales: Alcoba, D.R., Bochicchio, R.C., Lain, L., Torre, A.
Formato: JOUR
Materias:
Covalent bonds
Molecular dynamics
Numerical analysis
Bray-Curtis
Covalency
Ionicity
Metric spaces
Ionic strength
Acceso en línea: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 todo:paper_00092614_v442_n1-3_p157_Alcoba
record_format dspace
spelling todo:paper_00092614_v442_n1-3_p157_Alcoba2023-10-03T14:08:27Z Covalent bond indices and ionicities from similarity measures Alcoba, D.R. Bochicchio, R.C. Lain, L. Torre, A. 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. JOUR info:eu-repo/semantics/openAccess http://creativecommons.org/licenses/by/2.5/ar 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
Alcoba, D.R.
Bochicchio, R.C.
Lain, L.
Torre, A.
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.
format JOUR
author Alcoba, D.R.
Bochicchio, R.C.
Lain, L.
Torre, A.
author_facet Alcoba, D.R.
Bochicchio, R.C.
Lain, L.
Torre, A.
author_sort Alcoba, D.R.
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
url http://hdl.handle.net/20.500.12110/paper_00092614_v442_n1-3_p157_Alcoba
work_keys_str_mv AT alcobadr covalentbondindicesandionicitiesfromsimilaritymeasures
AT bochicchiorc covalentbondindicesandionicitiesfromsimilaritymeasures
AT lainl covalentbondindicesandionicitiesfromsimilaritymeasures
AT torrea covalentbondindicesandionicitiesfromsimilaritymeasures
_version_ 1807322567982186496

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