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. 2022 Feb 10;12(4):597. doi: 10.3390/nano12040597

Figure 5.

Figure 5

ZA distribution of the sp2C=C bond length in necklaced graphene hydrides DTs: (5, 5) graphene domain (I); the same domain with one (VI) and 22 (VII) hydrogen atoms as well as 18 methyl units (VIII). Digits mark DTs in accordance with Figure 1 and Table 1. UHF AM1 calculations.