Konu "Density functional theory" için listeleme
Toplam kayıt 2, listelenen: 1-2
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Computational study of homogenous gold-catalyzed oxime-oxime rearrangement: Balci-Guven rearrangement
(Springer/Plenum Publishers, 2020)Treatment of N-propargylated pyrrole aldoxime derivatives with gold-based catalyst unexpectedly resulted in oxime-oxime rearrangement, which led to ketoximes. This type of reorganization has not been previously observed ... -
Theoretical modeling of homogenous gold-catalyzed or NaH-supported alkyne cyclization
(Springer Wien, 2021)Gold-catalyzed or NaH-supported formation mechanisms of pyrazine and diazepines were investigated computationally. The structural properties of these heterocyclic compounds were studied in the gas phase and various solvents. ...