Aromatic character of heptafulvene and its complexes with halogen atoms

Journal of Molecular Modeling

Volumn 18, Issue 6, 2012, Pages 2453-2460

  Krygowski, Tadeusz M ^a   Oziminski, Wojciech P ^b,c   Cyrañski, Michał K ^a  

^a UNIVERSITY OF WARSAW   (Poland)

^b NATIONAL MEDICINES INSTITUTE   (Poland)

^c University of Ecology and Management   (Poland)

Author keywords

Aromaticity; Charge transfer; DFT; Heptafulvene; HOMA; NBO; NICS; PEDA

Indexed keywords

AROMATIC HYDROCARBON; HALOGEN; HEPTAFULVENE; UNCLASSIFIED DRUG;

AROMATICITY; AROMATIZATION; ARTICLE; CHEMICAL PARAMETERS; CHEMICAL STRUCTURE; COMPLEX FORMATION; CORRELATION COEFFICIENT; HARMONIC OSCILLATOR MODEL OF AROMATICITY; MAGNETISM; MOLECULAR MODEL; NUCLEUS INDEPENDENT CHEMICAL SHIFT; PRIORITY JOURNAL;

COMPUTER SIMULATION; COORDINATION COMPLEXES; CYCLOHEPTANES; HALOGENS; LINEAR MODELS; MODELS, CHEMICAL; MODELS, MOLECULAR; QUANTUM THEORY; THERMODYNAMICS;

EID: 84864649762     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-011-1264-4     Document Type: Article

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