Sigma- and pi- electron structure of aza-azoles

Journal of Molecular Modeling

Volumn 17, Issue 6, 2011, Pages 1427-1433

  Krygowski, Tadeusz M ^a   Oziminski, Wojciech P ^b   Ramsden, Christopher A ^c  

^a UNIVERSITY OF WARSAW   (Poland)

^b INSTITUTE OF NUCLEAR CHEMISTRY AND TECHNOLOGY   (Poland)

^c KEELE UNIVERSITY   (United Kingdom)

Author keywords

Aromaticity; Azoles; HOMA; NBO; NICS; pEDA; sEDA

Indexed keywords

1,2,3 TRIAZOLE DERIVATIVE; IMIDAZOLE; NITROGEN; PYRAZOLE; PYRROLE DERIVATIVE;

AROMATIZATION; ARTICLE; ATOM; CHEMICAL BOND; CHEMICAL INTERACTION; CHEMICAL STRUCTURE; ELECTRON; MAGNETISM; MOLECULAR DYNAMICS; NATURAL BOND ORBITAL; PRIORITY JOURNAL;

ALGORITHMS; AZA COMPOUNDS; AZOLES; COMPUTER SIMULATION; ELECTRONS; MODELS, MOLECULAR; MOLECULAR CONFORMATION;

EID: 79958092608     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-010-0844-z     Document Type: Article

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