Molecular mechanics study of transannular amine-ketone (NC˭O) interaction in medium-sized heterocycles. - Renate Griffith; John B. Bremner; Stephen J. Titmuss (J. Comput. Chem., 1997)

Comparison of linear-scaling semiempirical methods and combined quantum mechanical/molecular mechanical methods for enzymic reactions. II. An energy decomposition analysis. - Stephen J. Titmuss; Peter L. Cummins; Alistair P. Rendell; Andrey A. Bliznyuk; Jill E. Gready (J. Comput. Chem., 2002)