Research Article
In Silico Study of Spacer Arm Length Influence on Drug Vectorization by Fullerene C60
Table 2
Bond length and dipole moment values of the studied spacer arms.
| Compound | Spacer arm length (Å) |
Dipole moment (D) | | | HF | DFT |
| 2 | 3.721 | 0.42 | 0.46 | 3 | 4.918 | 3.95 | 3.52 | 4 | 6.254 | 0.50 | 0.52 | 5 | 7.482 | 3.93 | 3.93 | 6 | 8.806 | 0.53 | 0.53 | 7 | 10.05 | 3.92 | 3.49 | 8 | 11.365 | 0.55 | 0.56 | 9 | 12.617 | 3.92 | 3.47 | 10 | 13.998 | 0.55 | 0.57 | 11 | 15.185 | 3.92 | 3.49 |
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