The localized electrons detector as an ab initio representation of molecular structures

International Journal of Quantum Chemistry

Volumn 110, Issue 13, 2010, Pages 2418-2425

  Bohórquez, Hugo J ^a   Matta, Chérif F ^a,b   Boyd, Russell J ^a  

^a DALHOUSIE UNIVERSITY   (Canada)

^b MOUNT SAINT VINCENT UNIVERSITY   (Canada)

Author keywords

Electron density; Electron density topology; Electron pairs; Molecular structure; Quantum theory of atoms in molecules

Indexed keywords

AB INITIO; BONDING INTERACTIONS; CRITICAL POINTS; DIMENSIONAL REPRESENTATION; EIGENVALUES; ELECTRON DENSITIES; ELECTRON DENSITY TOPOLOGY; ELECTRON PAIRS; GRAPHICAL REPRESENTATIONS; HESSIAN MATRICES; LOCAL CURVATURE; LOCAL SYMMETRY; LOCALIZED ELECTRONS; MOLECULAR SYSTEMS; QUANTUM THEORY OF ATOMS IN MOLECULES; SINGLE PARTICLE; TOPOLOGICAL ANALYSIS;

ATOMS; CARRIER CONCENTRATION; EIGENVALUES AND EIGENFUNCTIONS; ELECTRON DENSITY MEASUREMENT; GRAPHIC METHODS; MOLECULAR STRUCTURE; MOLECULES; QUANTUM THEORY; TOPOLOGY;

ELECTRONS;

EID: 77958065767     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.22662     Document Type: Conference Paper

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