The substituent effects on the [3+2] cycloaddition of nitrile oxides generated by photooxidation of arylazides to acetonitrile.The DFT approach in M06L/6-311 + G(d,p) approximation was used to study the transformation of unsaturated nitrile oxides (RCNO), which were generated by photooxidation of the corresponding aromatic azide, to oxadiazoles via [3 + 2]cyclization with acetonitrile. 
M06L
The substituent effects on the [3+2] cycloaddition of nitrile oxides generated by photooxidation of arylazides to acetonitrile.The DFT approach in M06L/6-311 + G(d,p) approximation was used to study the transformation of unsaturated nitrile oxides (RCNO), which were generated by photooxidation of the corresponding aromatic azide, to oxadiazoles via [3 + 2]cyclization with acetonitrile. 
DFT