Geometry computations of xH-pyrazolo[3,4-b]quinolines (x=1,2,9) in the ground state in tautomerism phenomenon

Journal of Molecular Structure: THEOCHEM

Volumn 682, Issue 1-3, 2004, Pages 179-183

  Danel, A ^a   Zapotoczny, S ^b   Sterzel, M ^b   Pilch, M ^b  

^a UNIVERSITY OF AGRICULTURE IN KRAKOW   (Poland)

^b JAGIELLONIAN UNIVERSITY   (Poland)

Author keywords

DFT; Ground state geometry; PCM; Pyrazolo 3,4 b quinoline; Tautomerism

Indexed keywords

CYCLOHEXANE; DIMETHYL SULFOXIDE; METHANOL; QUINOLINE DERIVATIVE;

ARTICLE; CHEMICAL STRUCTURE; DENSITY FUNCTIONAL THEORY; ENERGY; GEOMETRY; LIGHT EMITTING DIODE; MATHEMATICAL ANALYSIS;

EID: 4344594277     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2004.05.018     Document Type: Article

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