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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P. - D. Fan and Piecuch, P., “Intriguing Accuracies of the Exponential Wave Function Expansions Exploiting Finite Two-Body Correlation Operators in Calculations for Many-Electron Systems”, Journal of Molecular Structure: THEOCHEM, vol. 768, no. 1-3, pp. 3-16, 2006.
P. - D. Fan and Piecuch, P., “The Usefulness of Exponential Wave Function Expansions Employing One- and Two-Body Cluster Operators in Electronic Structure Theory: The Extended and Generalized Coupled-Cluster Methods”, Advances in Quantum Chemistry, vol. 51, pp. 1-57, 2006.
M. Feig, Gebreyohannes, K., and McGuffin, V., “Conformational Sampling of S- and R-Warfarin in Polar Solvents: Implications for Stereoselective Complex Formation”, Journal of Molecular Structure (Theochem), vol. 949, no. 1-3, pp. 41-51, 2010.
Z. G. Fthenakis and Tománek, D., “Computational study of the thermal conductivity in defective carbon nanostructures”, Phys. Rev. B, vol. 86, p. 125418, 2012.
T. Fujimori, Urita, K., Tomanek, D., Ohba, T., Moriguchi, I., Endo, M., and Kaneko, K., “Selective probe of the morphology and local vibrations at carbon nanoasperities”, J. Chem. Phys., vol. 136, p. 064505, 2012.