Water effect on the O-H dissociation enthalpy of para-substituted phenols: A DFT study

Journal of Organic Chemistry

Volumn 69, Issue 16, 2004, Pages 5460-5467

  Guerra, Maurizio ^a   Amorati, Riccardo ^b   Pedulli, Gian Franco ^b  

^a CNR   (Italy)

^b UNIVERSITY OF BOLOGNA   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

AROMATIC COMPOUNDS; DISSOCIATION; ELECTRONS; ENTHALPY; HYDROGEN BONDS; NUMERICAL METHODS; SUBSTITUTION REACTIONS;

ELECTRON DONORS; WATER EFFECTS;

PHENOLS;

HYDROGEN; OXYGEN; PHENOL DERIVATIVE; PHENOXYL RADICAL; RADICAL; UNCLASSIFIED DRUG; WATER;

ARTICLE; COMPLEX FORMATION; DENSITY FUNCTIONAL THEORY; DISSOCIATION; ELECTRON; ENTHALPY; HYDROGEN BOND; MODEL; MOLECULAR INTERACTION; MOLECULAR STABILITY; POLARIZATION; REPRODUCIBILITY; SOLVENT EFFECT; SURFACE CHARGE;

EID: 3543004703     PISSN: 00223263     EISSN: None     Source Type: Journal    
DOI: 10.1021/jo0495236     Document Type: Article

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