Quantum polyhedra in LCAO MO theory
This paper presents the definition and characterisation of quantum molecular polyhedra. They are taken here within the description of a single molecule, using quantum molecular orbital (MO) density functions as vertices. The formalism and parameters associated to these mathematical structures are an...
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| Fformat: | article |
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2016
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| Mynediad Ar-lein: | http://dspace.utpl.edu.ec/handle/123456789/18956 |
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Ychwanegu Tag
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Ychwanegu Tag | _version_ | 1863437813851095040 |
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| author | Carbo Dorca, R. |
| author_facet | Carbo Dorca, R. |
| author_role | author |
| collection | Repositorio Universidad Técnica Particular de Loja |
| dc.creator.none.fl_str_mv | Carbo Dorca, R. |
| dc.date.none.fl_str_mv | 01/10/2015 2016-04-17 2017-06-16T22:02:41Z 2017-06-16T22:02:41Z |
| dc.identifier.none.fl_str_mv | 10.1080/00268976.2015.1093663 268976 10.1080/00268976.2015.1093663 http://dspace.utpl.edu.ec/handle/123456789/18956 |
| dc.language.none.fl_str_mv | Inglés |
| dc.publisher.none.fl_str_mv | Molecular Physics |
| dc.rights.none.fl_str_mv | info:eu-repo/semantics/openAccess |
| dc.source.none.fl_str_mv | reponame:Repositorio Universidad Técnica Particular de Loja instname:Universidad Técnica Particular de Loja instacron:UTPL |
| dc.subject.none.fl_str_mv | collective MO distances condensed MO indices LCAO MO theory MO density functions Quantum molecular polyhedra statistical-like functions |
| dc.title.none.fl_str_mv | Quantum polyhedra in LCAO MO theory |
| dc.type.none.fl_str_mv | info:eu-repo/semantics/publishedVersion info:eu-repo/semantics/article |
| description | This paper presents the definition and characterisation of quantum molecular polyhedra. They are taken here within the description of a single molecule, using quantum molecular orbital (MO) density functions as vertices. The formalism and parameters associated to these mathematical structures are analysed. Picture Drawn by Pep Camps, Girona (2015). © 2015 Taylor & Francis |
| eu_rights_str_mv | openAccess |
| format | article |
| id | UTPL_cd398361bd8cc3936c4141bcf947a69c |
| identifier_str_mv | 10.1080/00268976.2015.1093663 268976 |
| instacron_str | UTPL |
| institution | UTPL |
| instname_str | Universidad Técnica Particular de Loja |
| language_invalid_str_mv | Inglés |
| network_acronym_str | UTPL |
| network_name_str | Repositorio Universidad Técnica Particular de Loja |
| oai_identifier_str | oai:dspace.utpl.edu.ec:123456789/18956 |
| publishDate | 2016 |
| publisher.none.fl_str_mv | Molecular Physics |
| reponame_str | Repositorio Universidad Técnica Particular de Loja |
| repository.mail.fl_str_mv | . |
| repository.name.fl_str_mv | Repositorio Universidad Técnica Particular de Loja - Universidad Técnica Particular de Loja |
| repository_id_str | 1227 |
| spelling | Quantum polyhedra in LCAO MO theoryCarbo Dorca, R.collective MO distancescondensed MO indicesLCAO MO theoryMO density functionsQuantum molecular polyhedrastatistical-like functionsThis paper presents the definition and characterisation of quantum molecular polyhedra. They are taken here within the description of a single molecule, using quantum molecular orbital (MO) density functions as vertices. The formalism and parameters associated to these mathematical structures are analysed. Picture Drawn by Pep Camps, Girona (2015). © 2015 Taylor & FrancisMolecular Physics2017-06-16T22:02:41Z2017-06-16T22:02:41Z2016-04-1701/10/2015info:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/article10.1080/00268976.2015.109366326897610.1080/00268976.2015.1093663http://dspace.utpl.edu.ec/handle/123456789/18956Inglésinfo:eu-repo/semantics/openAccessreponame:Repositorio Universidad Técnica Particular de Lojainstname:Universidad Técnica Particular de Lojainstacron:UTPL2017-06-16T22:02:41Zoai:dspace.utpl.edu.ec:123456789/18956Institucionalhttps://dspace.utpl.edu.ec/Institución privadahttps://www.utpl.edu.ec/https://dspace.utpl.edu.ec/oai.Ecuador...opendoar:12272017-06-16T22:02:41Repositorio Universidad Técnica Particular de Loja - Universidad Técnica Particular de Lojafalse |
| spellingShingle | Quantum polyhedra in LCAO MO theory Carbo Dorca, R. collective MO distances condensed MO indices LCAO MO theory MO density functions Quantum molecular polyhedra statistical-like functions |
| status_str | publishedVersion |
| title | Quantum polyhedra in LCAO MO theory |
| title_full | Quantum polyhedra in LCAO MO theory |
| title_fullStr | Quantum polyhedra in LCAO MO theory |
| title_full_unstemmed | Quantum polyhedra in LCAO MO theory |
| title_short | Quantum polyhedra in LCAO MO theory |
| title_sort | Quantum polyhedra in LCAO MO theory |
| topic | collective MO distances condensed MO indices LCAO MO theory MO density functions Quantum molecular polyhedra statistical-like functions |
| url | http://dspace.utpl.edu.ec/handle/123456789/18956 |