Quantum polyhedra in LCAO MO theory
- Authors
- Carb?-Dorca, Carr?
- Format
- Article
- Status
- publishedVersion
- 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).
Universidad T?cnica Particular de Loja
http://www.tandfonline.com/doi/abs/10.1080/00268976.2015.1093663?journalCode=tmph20
- Publication Year
- 2015
- Language
- eng
- Topic
- QUANTUM MOLECULAR POLYHEDRA
MO DENSITY FUNCTIONS
LCAO MO THEORY
STATISTICAL-LIKE FUNCTIONS
COLLECTIVE MO DISTANCES
CONDENSED MO INDICES
- Repository
- Repositorio SENESCYT
- Rights
- openAccess
- License
- restrictedAccess