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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Bibliographic Details
Main Author: Carb?-Dorca, Carr?
Format: Artículos
Language:eng
Published: 2016
Subjects:
Online Access:http://repositorio.educacionsuperior.gob.ec/handle/28000/3119
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