Reference Label | Details |
---|---|
Ruscic G3X | G3X calculations; B3LYP/6-31G(2df,p) frequencies are scaled by 0.9854/0.9806*0.9614 = 0.9661 (see Scott 1996 and Curtiss 2001 G3X; Curtiss zpe factor: 0.9854, Scott 1996 B3LYP/6-31G(d) zpe factor: 0.9806, fundamental factor: 0.9614) |
Law 2002 | C.-K. Law, S.-H. Chien, and W.-K. Li, J. Phys. Chem. A 106, 11271-11276 (2002) Thermochemistry of Chlorine Fluorides ClFn, n = 1-7, and their Singly Charged Cations and Anions: A Gaussian-3 and Gaussian-3X Study |