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Your search keyword '"Quantum molecular polyhedra"' showing total 1 results
Start Over Descriptor "Quantum molecular polyhedra" Topic density functionals
1 results on '"Quantum molecular polyhedra"'

1. Quantum polyhedra in LCAO MO theory.

Author

Carbó-Dorca, Ramon

Subjects
*POLYHEDRA, *QUANTUM theory, *MOLECULAR orbitals, *DENSITY functionals, *PARAMETER estimation
Abstract

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). [ABSTRACT FROM PUBLISHER]

Published
2016
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