Table 1. Values of Atomic Polarizability Scaling Factors for Small Molecules in the Drude-2013 Force Field.
| model compound | atomic polarizability scale factor |
|---|---|
| alkanes | 1.0 |
| aromatics | 0.724 |
| heteroaromatics | 0.85 |
| alcohols | 0.70 (C), 1.0 (O) |
| SWM4-NDP water | 0.724 |
| ethers | 0.85 |
| thiols | 0.70 |
| disulfide | 0.85 |
| ethyl methyl sulfide | 0.60 |
| amides | 0.70 |