Theoretical studies of the solvent effect on the conformation of the HO-C-C-X (X = F, NH2, NO2) moiety with competing intra- and intermolecular hydrogen bonds

Journal of Physical Chemistry A

Volumn 116, Issue 29, 2012, Pages 7726-7741

  Nagy, Peter I ^a  

^a UNIVERSITY OF TOLEDO   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; CHLORINE COMPOUNDS; CONFORMATIONS; DIMERS; ETHANOL; FREE ENERGY; MOLECULES; NITROGEN OXIDES; PHENOLS; SOLUTIONS; SOLVENTS;

CONTINUUM DIELECTRIC METHOD; EQUILIBRIUM COMPOSITIONS; INTRA- AND INTERMOLECULAR HYDROGEN BONDS; INTRA-MOLECULAR HYDROGEN BONDS; POTENTIAL OF MEAN FORCE; SOLUTION CHARACTERISTICS; SOLVATION FREE ENERGIES; THEORETICAL CALCULATIONS;

HYDROGEN BONDS;

EID: 84962460178     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp304164g     Document Type: Article

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