Table 1. Parameters for the 3-12 Lennard-Jones surface potential.
| Parameter | H | C | F | S | Co | Hg |
|---|---|---|---|---|---|---|
| A | 2.26 | 3.43 | 2.68 | 4.22 | 1.86 | 3.05 |
| B | 2.46 | 2.98 | 2.69 | 3.18 | 2.33 | 2.59 |
Values of A are in Å(kcal/mol)1/3, values of B are in Å(kcal/mol)1/12, values of r are in Å, and those of V are in kcal/mol. The interaction between each atom and a gold surface is V = –(A/r)3 + (B/r)12.