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. 2020 Sep 16;5(38):24262–24271. doi: 10.1021/acsomega.0c02382

Table 1. Adsorption Energy (ΔGabs) of CCOFsa.

compound ΔGabs, I2 ΔGabs, I3 ΔGabs, I5 ΔGabs, I+
COF-TpgDB Tpg sites 198.08 195.66 236.74 151.93
COF-TpgDB DB sites 198.88 195.43 316.59 151.74
COF-TpgBD Tpg sites 283.60 300.54 390.70 235.28
COF-TpgBD BD sites 284.67 281.91 408.77 195.66
COF-TpgTd Tpg sites 204.72 217.68 252.51 247.98
COF-TpgTd Td sites 205.99 209.32 334.91 236.84
a

Unit for ΔGabs is kcal/mol.