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. 2017 Oct 16;114(44):11633–11638. doi: 10.1073/pnas.1615053114
χH1,Ht sH1,Ht0 Δρ(Ht)N Δρ(Ht)μ HOMO-LUMO gap (a.u.)
H10 0.1393 −0.0662 −0.1628 −0.1142 0.1550
H12 0.1116 −0.0573 −0.1351 −0.0983 0.1387
H14 0.0917 −0.0506 −0.1142 −0.0865 0.1264
H16 0.0766 −0.0453 −0.0978 −0.0773 0.1168
H18 0.0649 −0.0410 −0.0846 −0.0700 0.1091
H20 0.0555 −0.0375 −0.0738 −0.0640 0.1029