Barrier height for the abstraction reaction of methylene with hydrogen,CH2(3B1) + H2 → CH3 + H

The abstraction reaction of methylene with hydrogen reinvestigated with a double zeta plus polarization basis at the configuration interaction level. The results are found to be very similar to those previously obtained without polarization functions, in line with previous findings at the SCF level. The barrier is computed to be 11.8 kcal/mole when an estimate of the effect of quadruple excitations is included.