JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, vol.577, no.2-3, pp.197-204, 2002 (SCI-Expanded)
Article / Article
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
Science Citation Index Expanded (SCI-EXPANDED), Scopus
imidazole, 1,2,4-triaryl imidazole, quantum chemical studies, aqueous phase
Anadolu University Affiliated:
The geometries, proton affinities and thermodynamic properties of some 1,2,4-triarylsubstituted imidazole derivatives were calculated with full geometry optimization using AM1 and PM3 methods in aqueous phase. A possible correlation between experimentally obtained results and the computed data was searched. (C) 2002 Elsevier Science B.V. All rights reserved.