Enthalpy of formation of adamantane alkyl derivatives

The enthalpies of formation of adamantane alkyl derivatives were calculated by the semiempirical quantum chemical methods PM3, MINDO, AM1 and MNDO of the MOPAC software package. Comparison of the calculated values with the experimental data showed that the best correlation gave the PM3 method. Using this method and linear regression equation derived by us we calculated enthalpies of formation of twenty-two alkyl derivatives of adamantane.