Molecular model with quantum mechanical bonding information

Journal of Physical Chemistry A

Volumn 115, Issue 45, 2011, Pages 12991-12997

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

^a DALHOUSIE UNIVERSITY   (Canada)

^b MOUNT SAINT VINCENT UNIVERSITY   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMIC RADIUS; ATOMS IN MOLECULES; BOND CRITICAL POINTS; BOND PATHS; BONDING INTERACTIONS; CRITICAL POINTS; EIGENVALUES; GRAPHICAL REPRESENTATIONS; INTERATOMIC INTERACTIONS; MOLECULAR MODELS; NONCOVALENT; QUANTUM MECHANICAL; TOPOLOGICAL INFORMATION; VISUAL INSPECTION;

ATOMS; BOND STRENGTH (CHEMICAL); CARRIER CONCENTRATION; DENSITY FUNCTIONAL THEORY; EIGENVALUES AND EIGENFUNCTIONS; ELECTRON DENSITY MEASUREMENT; FUNCTIONAL GROUPS; MECHANICAL PROPERTIES; MOLECULAR MECHANICS; MOLECULAR MODELING; MOLECULAR STRUCTURE; MOLECULES; QUANTUM CHEMISTRY; QUANTUM THEORY; VISUALIZATION;

TOPOLOGY;

ARTICLE; CHEMICAL STRUCTURE; QUANTUM THEORY;

MODELS, MOLECULAR; QUANTUM THEORY;

EID: 80855129471     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp204100z     Document Type: Article

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