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? |
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Formato: | Artículos |
Lenguaje: | eng |
Publicado: |
2016
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Materias: | |
Acceso en línea: | http://repositorio.educacionsuperior.gob.ec/handle/28000/3119 |
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