•Find the transition state and calculate the barrier height (ΔV≠)  for the following reaction and compare with the previous assignment.

reaction ：H2 + H → H + H2

method：MP2/6-31+G(d,p)

step:

1.

H2

H

H3(transition state)

2.

H3-IRC

3.結果

H2+H

H3

H+H2

4.barrier

•Find the transition state and calculate the barrier height (ΔV≠) for the following reaction.

reaction ：CH₄ +OH․→ H₂O + CH₃․

method：MP2/6-31+G(d,p)

step:

1.

CH4

OH․

CH4OH(transition state)

2.

CH4OH-IRC

3.結果

CH₄ +OH․

CH4OH

H₂O + CH₃․

4.barrier

•Calculate all the exercises in Chapter 11 of the Spartan 20 Tutorial and User's Guide.