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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. Journal of Chemical Information and Computer Sciences, 41(1):50-55, 2001. [doi]

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