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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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 |
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Biblioteca Senescyt |
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eng |
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Artículos |
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QUANTUM MOLECULAR POLYHEDRA MO DENSITY FUNCTIONS LCAO MO THEORY STATISTICAL-LIKE FUNCTIONS COLLECTIVE MO DISTANCES CONDENSED MO INDICES |
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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 |