Single electron densities: A new tool to analyze molecular wavefunctions

Journal of Computational Chemistry

Volumn 32, Issue 12, 2011, Pages 2619-2626

  Lüchow, Arne ^a   Petz, René ^a  

^a RWTH AACHEN UNIVERSITY   (Germany)

Author keywords

chemical bond; electron density; quantum Monte Carlo; VSEPR

Indexed keywords

ANTISYMMETRIES; ELECTRON DENSITIES; ELECTRON PAIR; FERMI HOLES; PAIR DENSITY; QUANTUM MONTE CARLO; SINGLE ELECTRON; VALENCE SHELL ELECTRON PAIR REPULSION; VSEPR; WATER MOLECULE;

CARRIER CONCENTRATION; CHEMICAL ANALYSIS; CHEMICAL BONDS; DENSITY FUNCTIONAL THEORY; ELECTRON DENSITY MEASUREMENT; ELECTRON-ELECTRON INTERACTIONS; ETHANE; ETHYLENE; MOLECULES; QUANTUM CHEMISTRY;

ELECTRONS;

EID: 79959719100     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.21841     Document Type: Article

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