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. 2015 Aug 4;16(8):17999–18017. doi: 10.3390/ijms160817999

Table 2.

Dipole moment and charge of ILTG and G2-β-CD by ONIOM (B3LYP/6-31+G(d):PM3) calculations.

Item Water Gas Phase
Dipole moment (Debye) 3.233 2.586
Charge of ILTG (e) −0.053 −0.046
Charge of G2-β-CD (e) 0.053 0.046