Investigation of tautomerism and transition states in a derivative of 1,3,4-oxadiazole (A, B, C and D)

in the gas phase and in solution and in a micro hydrated environment with 1–3 water molecules was

performed ...

3-amino1-phenyl-2-buten-1-one (APBO) was synthesized by amination of benzoylacetone (BA) and its structure was studied by x-ray crystallographic method. The geometry of APBO was also optimized by means of density functional ...