Aromaticity of pyréne and its cyclopentafused congeners-resonance and NICS criteria. An Ab initio valence bond analysis in terms of kekulé resonance structures

Journal of Physical Chemistry A

Volumn 105, Issue 15, 2001, Pages 3838-3845

  Havenith, Remco W A ^a   Van Lenthe, Joop H ^a   Dijkstra, Fokke ^b   Jenneskens, Leonardus W ^c  

^a UTRECHT UNIVERSITY   (Netherlands)

^b Theoretical Chemistry Group   (Netherlands)

^c Department of Physical Organic Chemistry ^*  (Netherlands)

Author keywords

[No Author keywords available]

Indexed keywords

KEKULE RESONANCE STRUCTURES;

CHEMICAL BONDS; DERIVATIVES; ELECTRONS; RESONANCE; TENSORS;

AROMATIC HYDROCARBONS;

EID: 0035912427     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp003344k     Document Type: Article

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