Table 3 A summary of the molecular structures used for the simulations
From: An ab-initio Computational Method to Determine Dielectric Properties of Biological Materials
Material | Nmat (mol) | Nwat (mol) | L (Ã…) | Material | Nmat (mol) | Nwat (mol) | L (Ã…) |
|---|---|---|---|---|---|---|---|
Water |  | 240 | 20.8 | Ala 1 M | 4 | 208 | 19.09 |
Methanol | 180 |  | 18.5 | Glu 1 M | 4 | 200 | 18.81 |
Ethanol | 180 |  | 23.3 | GABA 1 M | 4 | 222 | 21.28 |
Gly 1 M | 4 | 212 | 19.98 | Dopamine 1 M | 4 | 195 | 18.71 |
