| Reference Label | Details |
|---|---|
| Ruscic G3B3LYP | G3B3LYP calculation; B3LYP/6-31G(d) frequencies are scaled by 0.9614 (see Scott 1996) |
| Scott 1994 | A.P. Scott, R.H. Nobes, H.F. Schaefer III, L. Radom, J. Am. Chem. Soc. 116, 10159 (1994) |
| Girard 2003 | Y. Girard and P. Chaquin, J. Phys. Chem. A 107, 10462 (2003) |