A DFT study on intramolecular hydrogen bonding in 2-substituted phenols: Conformations, enthalpies, and correlation with solute parameters

Journal of Physical Chemistry A

Volumn 106, Issue 37, 2002, Pages 8779-8789

  Korth, Hans Gert ^a   De Heer, Martine I ^b   Mulder, Peter ^b  

^a UNIVERSITY OF DUISBURG ESSEN   (Germany)

^b LEIDEN UNIVERSITY   (Netherlands)

Author keywords

[No Author keywords available]

Indexed keywords

ACIDITY; CONFORMATIONS; DISSOCIATION; ELECTRONIC STRUCTURE; ENTHALPY; HYDROCARBONS; PROBABILITY DENSITY FUNCTION; THERMODYNAMICS;

SOLUTE PARAMETERS;

PHENOLS;

EID: 0037136807     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp025713d     Document Type: Article

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