| Reference Label | Details |
|---|---|
| triv | Trivial |
| Ruscic G3B3 | G3B3LYP calculation; B3LYP/6-31G(d) frequencies are scaled by 0.9614 (see Scott 1996) |
| Yu 2004 | H.-G. Yu and J. T. Muckerman, J. Phys. Chem. A 108, 8615-8623 (2004) MRCI Calculations of the Lowest Potential Energy Surface for CH3OH and Direct ab initio Dynamics Simulations of the O(1D) + CH4 Reaction |