A Computational Study of the Effectiveness of the Frontier Molecular Orbital Formalism in Predicting Conformational Isomerism in (p-RC6H4NC)2W(dppe)2.

Nicole L. Wagner Jennifer M. Kloss Kristen L. Murphy Dennis W. Bennett David A. Dixon A Computational Study of the Effectiveness of the Frontier Molecular Orbital Formalism in Predicting Conformational Isomerism in (p-RC6H4NC)2W(dppe)2. 50-55 2001 41 Journal of Chemical Information and Computer Sciences 1 http://dx.doi.org/10.1021/ci000059p db/journals/jcisd/jcisd41.html#WagnerKMBD01