Mechanistic and kinetic study on the SN2 and E2 reactions of Cl− with CH3OBr

The CVT/SCT rate constants calculated at the QCISD(T)/6-311++G(3df,2p)//MP2/6-311+G(d,p) level for the three reaction channels, anti-E2, SN2@O, syn-E2 vs. 1000/T between 200 and 3000 K.