摘要
AM1 and PM3 methods using the unrestricted Hartree-Fock (UHF) calculations have been applied to study the thermolysis of dicyanofuroxan. The results obtained show that the reaction proceeds to product through a two-step pathway where the second one is the rate-determining step.
AM1 and PM3 methods using the unrestricted Hartree-Fock (UHF) calculations have been applied to study the thermolysis of dicyanofuroxan. The results obtained show that the reaction proceeds to product through a two-step pathway where the second one is the rate-determining step.
