Rearrangements of protonated 1,5-cyclooctadiene
Method: DFT/PBE/L1 (chemical shifts by DFT/PBE/L22)
Click on ellipse to view 3D structure in popup window (run JSmol)
Topology of PES (without energy)
Zero energy corresponds to 01. The only common structure for Parts 1,2,3 is 330s
Part 1
Part 2
Part 3
Part 4
21.02.2019