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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| Format: | article |
| Publicat: |
2016
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| Matèries: | |
| Accés en línia: | http://dspace.utpl.edu.ec/handle/123456789/18956 |
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