Double-twist 4n Möbius Triplets/4n+2 Quintet
UB3LYP/
cc-pVTZ
NICS(0)
Δr
-7.5
0.031
-8.0
0.022
-9.8
0.011
-9.9
0.012
-2.5
0.017
Doubly twisted Möbius system: 16α + 18.58β
Untwisted Hückel system: 16α + 20.11β
Δ = 1.53β
© H. S. Rzepa, 2006.