A Computational Study of the Effectiveness of the Frontier Molecular Orbital Formalism in Predicting Conformational Isomerism in (p-RC6H4NC)2W(dppe)2.
Nicole L. WagnerJennifer M. KlossKristen L. MurphyDennis W. BennettDavid A. DixonPublished in: J. Chem. Inf. Comput. Sci. (2001)