CH3NO2 decomposition/isomerization mechanism and product branching ratios: An ab initio chemical kinetic study

Energy diagrams (in kcal/mol) for the CH3NO2 decomposition, computed at the UCCSD(T)/CBS level. The values for CH3NO2 and TS1 in the parenthesis were calculated at the CASPT3(8,8)/6-311+G(3df,2p)//CASSCF(8,8)/6-311+G(d) level.