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, 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.
Z. Rak, Mahanti, S. D., Mandal, K. C., and Fernelius, N. C., Theoretical studies of defect states in GaTe, Journal of Physics: Condensed Matter, vol. 21, no. 1, p. 015504, 2008.
Z. Rak, Mahanti, S. D., Mandal, K. C., and Fernelius, N. C., Theoretical studies of defect states in GaTe, Journal of Physics: Condensed Matter, vol. 21, p. 015504, 2009.
P. Piecuch, Zhao, Y., and Truhlar, D. G., Thermochemical Kinetics for Multi-reference Systems: Addition Reactions of Ozone, Journal of Physical Chemistry A, vol. 113, no. 19, pp. 5786-5799, 2009.
J. M. Dresch, Liu, X., Arnosti, D. N., and Ay, A., Thermodynamic modeling of transcription: sensitivity analysis differentiates biological mechanism from mathematical model-induced effects, BMC Systems Biology, vol. 4, p. 142, 2010.
B. D. Smith, Turk, M. J., Sigurdsson, S., O'Shea, B. W., and Norman, M. L., Three Modes of Metal-Enriched Star Formation in the Early Universe, \apj, vol. 691, pp. 441-451, 2009.
M. Mocko, Tsang, M. B., Lacroix, D., Ono, A., Danielewicz, P., Lynch, W. G., and Charity, R. J., Transport Model Simulations of Projectile Fragmentation Reactions at 140 {MeV/nucleon}, Physical Review C, vol. 78, no. 2, 2008.
Z. Li and Jaberi, F. A., Turbulence-Interface Interactions in a Two-Fluid Homogeneous Flow, Physics of Fluids, vol. 21, no. 9, 2009.
B. Schuetrumpf and Nazarewicz, W., Twist-averaged boundary conditions for nuclear pasta Hartree-Fock calculations, vol. 92, pp. 045806-1 - 045806-6, 2015.
P. Piecuch, Wloch, M., Logriguito, M. D., and Gour, J. R., Two New Classes of Non-Iterative Coupled-Cluster Methods Derived from the Method of Moments of Coupled-Cluster Equations, Molecular Physics, vol. 104, no. 13 & 14, pp. 2149-2172, 2006.
A. Banaeizadeh, Jaberi, F. A., and Li, Z., Two-Phase Filtered Mass Density Function for LES of Turbulent Reacting Flows, Journal of Fluid Mechanics, vol. 760, 2014.