Publications

The following are publications made possible by iCER resources. MSU faculty that would like to highlight the output of their research that's benefited from iCER resources are invited to contact us.

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Journal Article

C. J. Cramer, Gour, J. R., Kinal, A., Wloch, M., Piecuch, P., Shahi, A. R. M., and Gagliardi, L., “Stereoelectronic Effects on Molecular Geometries and State-Energy Splittings of Ligated Monocopper Diozygen Complexes”, The Journal of Physical Chemistry, vol. 112, no. 16, pp. 3754-3767, 2008.

C. J. Cramer, Kinal, A., Wloch, M., Piecuch, P., and Gagliardi, L., “Theoretical Characterization of End-on and Side-on Peroxide Coordination in Ligated Cu2O2 Models”, The Journal of Physical Chemistry A, vol. 110, no. 40, pp. 11557-11568, 2006.

C. J. Cramer, Wloch, M., Piecuch, P., Puzzarini, C., and Gagliardi, L., “Theoretical Models on the Cu2O2 Torture Track. Mechanistic Implications for Oxytyrosinase and Small-molecule Analogs”, The Journal of Physical Chemistry A, vol. 110, pp. 1991–2004, 2006.