Quantum chemical studies on some 1,2,4-triarylsubstituted imidazoles
Abstract
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
Source
Journal of Molecular Structure-TheochemVolume
577Issue
2.MarCollections
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