Reference Label | Details |
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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) |
Somnitz 2004 | H. Somnitz, Phys. Chem. Chem. Phys. 6, 3844-3851 (2004) Quantum Chemical and Dynamical Characterisation of the Reaction OH + SO2 = HOSO2 over an Extended Range of Temperature and Pressure |