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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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Autor Principal: Carb?-Dorca, Carr?
Formato: Artículos
Lenguaje:eng
Publicado: 2016
Materias:
QUANTUM MOLECULAR POLYHEDRA
MO DENSITY FUNCTIONS
LCAO MO THEORY
STATISTICAL-LIKE FUNCTIONS
COLLECTIVE MO DISTANCES
CONDENSED MO INDICES
Acceso en línea:http://repositorio.educacionsuperior.gob.ec/handle/28000/3119
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spelling oai:localhost:28000-31192017-04-12T15:24:13Z Quantum polyhedra in LCAO MO theory Carb?-Dorca, Carr? QUANTUM MOLECULAR POLYHEDRA MO DENSITY FUNCTIONS LCAO MO THEORY STATISTICAL-LIKE FUNCTIONS COLLECTIVE MO DISTANCES CONDENSED MO INDICES 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). Universidad T?cnica Particular de Loja http://www.tandfonline.com/doi/abs/10.1080/00268976.2015.1093663?journalCode=tmph20 2016-11-09T19:33:21Z 2016-11-09T19:33:21Z 2015 article Carb?-Dorca, Carr?. (2015). Quantum polyhedra in LCAO MO theory. Molecular Physics. Vol.114. pp.1236-1249 1362-3028 http://repositorio.educacionsuperior.gob.ec/handle/28000/3119 eng restrictedAccess pp.1236-1249
institution SENESCYT
collection Repositorio SENESCYT
biblioteca Biblioteca Senescyt
language eng
format Artículos
topic QUANTUM MOLECULAR POLYHEDRA
MO DENSITY FUNCTIONS
LCAO MO THEORY
STATISTICAL-LIKE FUNCTIONS
COLLECTIVE MO DISTANCES
CONDENSED MO INDICES
spellingShingle QUANTUM MOLECULAR POLYHEDRA
MO DENSITY FUNCTIONS
LCAO MO THEORY
STATISTICAL-LIKE FUNCTIONS
COLLECTIVE MO DISTANCES
CONDENSED MO INDICES
Carb?-Dorca, Carr?
Quantum polyhedra in LCAO MO theory
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).
author Carb?-Dorca, Carr?
author_facet Carb?-Dorca, Carr?
author_sort Carb?-Dorca, Carr?
title Quantum polyhedra in LCAO MO theory
title_short 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_sort quantum polyhedra in lcao mo theory
publishDate 2016
url http://repositorio.educacionsuperior.gob.ec/handle/28000/3119
_version_ 1634995110410190848
score 11,871979

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