return to home page

XIV.K.5.

Intrinsic Reaction Coordinate (IRC)
for the reaction OH + CH4 = H2O + CH3

Calculation of IRC using HF/6-31G*
picture of OH + CH4 = H2O + CH3

The following graph shows the energy (in kJ mol-1) as a function of the reaction coordinate (Å).

This applet requires a Java capable browser to be viewed.