Intramolecular interactions in ortho-substituted phenols: Survey of DFT- B3LYP calculated data

Journal of Molecular Structure

Volumn 448, Issue 2-3, 1998, Pages 191-199

  Simperler, A ^a   Lampert, H ^a   Mikenda, W ^a  

^a INSTITUT FÜR ORGANISCHE CHEMIE   (Austria)

Author keywords

DFT B3LYP; Hydrogen bonds; Ortho substituted phenols

Indexed keywords

BROMIDE; CHLORIDE; FLUORIDE; HYDROGEN; PHENOL; PHENOL DERIVATIVE;

CHEMICAL STRUCTURE; CONFERENCE PAPER; HYDROGEN BOND; MATHEMATICAL MODEL; MOLECULAR DYNAMICS; MOLECULAR INTERACTION; STRUCTURE ACTIVITY RELATION; STRUCTURE ANALYSIS; SYNTHESIS;

EID: 0032425134     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0022-2860(98)00350-0     Document Type: Conference Paper

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