Revealing electron delocalization through the source function

Journal of Physical Chemistry A

Volumn 115, Issue 45, 2011, Pages 12864-12878

  Monza, Emanuele ^a   Gatti, Carlo ^a,b   Lo Presti, Leonardo ^a,b   Ortoleva, Emanuele ^a  

^a UNIVERSITY OF MILAN   (Italy)

^b AARHUS UNIVERSITY   (Denmark)

Author keywords

[No Author keywords available]

Indexed keywords

1 ,3-CYCLOHEXADIENE; AROMATICITIES; BENZENE RING; BOND CRITICAL POINTS; CHARGE DENSITY DISTRIBUTIONS; CYCLOHEXENES; DELOCALIZATION INDEXES; DESCRIPTORS; ELECTRON CONJUGATION; ELECTRON DELOCALIZATION; ELECTRONIC EFFECTS; LOCAL AROMATICITY; MOLECULAR PROPERTIES; ORGANIC SYSTEMS; PAIR DENSITY; QUANTUM MECHANICAL; REAL-SPACE; SOURCE FUNCTIONS; UNSATURATED BONDS;

AROMATIC COMPOUNDS; AROMATIZATION; ATOMS; BENZENE; CARRIER CONCENTRATION; DENSITY FUNCTIONAL THEORY; ELECTRON DENSITY MEASUREMENT; MECHANICAL PROPERTIES; NAPHTHALENE; OLEFINS; POLYCYCLIC AROMATIC HYDROCARBONS;

ELECTRONS;

1,3 CYCLOHEXADIENE; 1,3-CYCLOHEXADIENE; BENZENE; CYCLOHEXENE; CYCLOHEXENE DERIVATIVE; POLYCYCLIC AROMATIC HYDROCARBON;

ARTICLE; CHEMISTRY; ELECTRON; QUANTUM THEORY;

BENZENE; CYCLOHEXENES; ELECTRONS; POLYCYCLIC HYDROCARBONS, AROMATIC; QUANTUM THEORY;

EID: 80855150837     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp204000d     Document Type: Article

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