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Tautomeric and conformational equilibria of biologically important (hydroxyphenyl)alkylamines in the gas phase and in aqueous solutionElectronic supplementary information (ESI) available: Table S1: Optimized geometric parameters for substructure moieties in the gas phase and in aqueous solution by the continuum solvent model. Table S2: Optimized geometric parameters for 4-aminophenol in the gas phase and in aqueous solution by the continuum solvent model. Table S3: Atomic charges and dipole moments in aqueous solution. See http://www.rsc.org/suppdata/cp/b3/b314924b/
Nagy, Peter I., Tak�cs-Nov�k, KrisztinaVolume:
6
Year:
2004
Language:
english
Journal:
Physical Chemistry Chemical Physics
DOI:
10.1039/B314924B
File:
PDF, 238 KB
english, 2004