Collect. Czech. Chem. Commun. 1982, 47, 802-808

The reliability of MINDO method for characterizing the transition state structures in radical addition reactions

Robert Ponec and Jaroslav Málek

Institute of Chemical Process Fundamentals, Czechoslovak Academy of Sciences, 165 02 Prague 6 - Suchdol


The additions of the methyl radical and hydrogen atom to ethylene were chosen to test the reliability of MINDO method for predicting the transition state structures. It has been shown that the structures obtained at the level of the MINDO method differ markedly from the ab initio calculated structures.