Table 1:
Possible products and required energies (kcal mol-1) for the
unimolecular dissociation of excited methanol.
| Products |
Energy |
| |
B3LYP |
CCSD(T) |
| CH3O + H |
96.8 |
102.1 |
| CH2OH+ H |
91.5 |
94.0 |
| CH2 + H2O |
95.6 |
89.2 |
| CH2O + H2 |
16.9 |
20.4 |
| CH3 + OH |
85.4 |
87.8 |
Source LaTeX |
All tables |
In the text