Browsing Makale Koleksiyonu by Subject "1,3-Azoles"
Now showing items 1-1 of 1
-
The trans-cis and the azide-tetrazole ring-chain isomerization of 2-azido-1,3-azoles: Quantum chemical study
(ELSEVIER SCIENCE BV, 2015)Quantum chemical calculations using Density Functional Theory (DFT) at the B3LYP/6-31++G(d,p) basis set level were performed to investigate the azide group rotation from the trans to the cis isomer and the azido-tetrazole ...