화학공학소재연구정보센터
검색결과 : 3건
No. Article
1 Theoretical insights, in the liquid phase, into the antioxidant mechanism-related parameters in the 2-monosubstituted phenols
Bakalbassis EG, Lithoxoidou AT, Vafiadis AP
Journal of Physical Chemistry A, 110(38), 11151, 2006
2 PCM study of the solvent and substituent effects on the conformers, intramolecular hydrogen bonds and bond dissociation enthalpies of 2-substituted phenols
Lithoxoidou AT, Bakalbassis EG
Journal of Physical Chemistry A, 109(2), 366, 2005
3 Theoretical calculation of accurate absolute and relative gas- and liquid-phase O-H bond dissociation enthalpies of 2-mono- and 2,6-disubstituted phenols, using DFT/B3LYP
Bakalbassis EG, Lithoxoidou AT, Vafiadis AP
Journal of Physical Chemistry A, 107(41), 8594, 2003