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...

• מחבר ראשי: Carbo Dorca, R. (author)
• פורמט: article
• יצא לאור: 2016
• נושאים: collective MO distances; condensed MO indices; LCAO MO theory; MO density functions; Quantum molecular polyhedra; statistical-like functions
• גישה מקוונת: http://dspace.utpl.edu.ec/handle/123456789/18956