Electron-topological, energetic and π-electron delocalization analysis of ketoenamine-enolimine tautomeric equilibrium

Journal of Molecular Modeling

Volumn 18, Issue 1, 2012, Pages 257-263

  Martyniak, Agata ^a   Lipkowski, Pawel ^b   Boens, Noel ^c   Filarowski, Aleksander ^a  

^a UNIVERSITY OF WROC AW   (Poland)

^b WROCLAW UNIVERSITY OF TECHNOLOGY   (Poland)

^c UNIVERSITY OF LEUVEN   (Belgium)

Author keywords

Aromaticity; Carbonylamine; Enolimine; HOMA; Intramolecular hydrogen bond; QTAIM; Tautomeric equilibrium

Indexed keywords

AMINE; ENOLIMINE; IMINE; KETOENAMINE; UNCLASSIFIED DRUG;

ARTICLE; CALCULATION; CHEMICAL ANALYSIS; CHEMICAL STRUCTURE; CONFORMATIONAL TRANSITION; DENSITY; ELECTRON TRANSPORT; ENERGY TRANSFER; HYDROGEN BOND; PARAMETERS; PRIORITY JOURNAL; QUANTUM THEORY; TAUTOMER;

ELECTRONS; HYDROCARBONS, AROMATIC; HYDROGEN BONDING; MALONDIALDEHYDE; MODELS, MOLECULAR; MODELS, THEORETICAL;

EID: 84856259811     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-011-1075-7     Document Type: Article

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