Tautomeric equilibria and pi electron delocalization for some monohydroxyarenes-quantum chemical studies

Journal of Organic Chemistry

Volumn 71, Issue 10, 2006, Pages 3727-3736

  Ośmiałowski, Borys ^a   Raczyńska, Ewa D ^b   Krygowski, Tadeusz M ^c  

^a UNIVERSITY OF TECHNOLOGY AND LIFE SCIENCES   (Poland)

^b WARSAW UNIVERSITY OF LIFE SCIENCES   (Poland)

^c UNIVERSITY OF WARSAW   (Poland)

Author keywords

[No Author keywords available]

Indexed keywords

AROMATIC COMPOUNDS; MATHEMATICAL MODELS; MIXTURES; QUANTUM THEORY; THERMODYNAMICS;

ELECTRON DELOCALIZATION; ELECTRON DISTRIBUTION; TAUTOMERIC EQUILIBRIA; TAUTOMERIC INTERCONVERSIONS;

ISOMERS;

1 NAPHTHOL; 2 NAPHTHOL; 9 ANTHROL; AROMATIC COMPOUND; PHENOL; POLYCYCLIC AROMATIC HYDROCARBON; UNCLASSIFIED DRUG; WATER;

ARTICLE; CALCULATION; CHEMICAL STRUCTURE; DENSITY FUNCTIONAL THEORY; ELECTRON TRANSPORT; GEOMETRY; HYDRATION; MATHEMATICAL ANALYSIS; MOLECULAR DYNAMICS; QUANTUM CHEMISTRY; SOLVATION; STRUCTURAL BIOINFORMATICS; THERMODYNAMICS;

EID: 33646524967     PISSN: 00223263     EISSN: None     Source Type: Journal    
DOI: 10.1021/jo052615q     Document Type: Article

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