Новосибирский институт органической химии им. Н.Н. Ворожцова СО РАН

Лаборатория изучения механизмов органических реакций

Is cyclopentyne an intermediate in a cycloaddition?

Geometry optimization by DFT/PBE/L1 (PRIRODA program, basis like cc-pVDZ)




On figure(s) below click on the level title to download xyz file ==>
Click on energy level to view 3D structure in browser (run JSmol) ==>


-22.66 -22.66 0.00 0.00 4.37 4.37 21.10 21.10 28.81 28.81

Animation of IRC