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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 0.2028 −0.0362 −0.2224 −0.0869 0.1210
H12 0.1735 −0.0307 −0.1956 −0.0731 0.1040
H14 0.1521 −0.0262 −0.1750 −0.0628 0.0911
H16 0.1353 −0.0229 −0.1586 −0.0549 0.0811
H18 0.1221 −0.0201 −0.1452 −0.0487 0.0731
H20 0.1113 −0.0180 −0.1340 −0.0437 0.0665