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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“Heteroleptic Rare-Earth Tris(metallocenes) Containing a Dibenzocyclooctatetraene Dianion”, Inorganic Chemistry, vol. 61, no. 5, pp. 2444 - 2454, 2022.
, “Molecular dynamics simulations of oscillatory Couette flows with slip boundary conditions”, Microfluidics and Nanofluidics, vol. 14, no. 1-2, 2013.
, “Molecular diffusion and slip boundary conditions at smooth surfaces with periodic and random nanoscale textures”, J. Chem. Phys., vol. 135, 2011.
, “Rate-dependent slip boundary conditions for simple fluids”, Physical Review E, vol. 75, no. 5, p. 51605, 2007.
, “Shear rate threshold for the boundary slip in dense polymer films”, Phys. Rev. E, vol. 80, no. 3, p. 11 Pages, 2009.
, “Interfacial friction between semiflexible polymers and crystalline surfaces”, J. Chem. Phys., vol. 136, 2012.
, “Effect of surface roughness on rate-dependent slip in simple fluids”, The Journal of Chemical Physics, vol. 127, no. 14, p. 144708, 2007.
, “Heterogeneous relaxation dynamics in amorphous materials under cyclic loading”, Physical Review E, vol. 87, no. 5, 2013.
, “Relationship between induced fluid structure and boundary slip in nanoscale polymer films”, Physical Review E, vol. 82, 2010.
, “Estimating wounding of lake trout by sea lamprey in the upper Great Lakes: Allowing for changing size-specific patterns”, Journal of Great Lakes Research, p. -, 2013.
, “Untangling the contributions of image charge and laser profile for optimal photoemission of high-brightness electron beams”, Journal of Applied Physics, vol. 116, 2014.
, “Designing Electrical Contacts to ${\mathrm{MoS}}_{2}$ Monolayers: A Computational Study”, Phys. Rev. Lett., vol. 108, p. 156802, 2012.
, “Method of Moments for the Continuous Transition Between the Brillouin-Wigner-Type and Rayleigh-Schrodinger-Type Multireference Coupled Cluster Theories”, Molecular Physics, vol. 107, no. 08-12, pp. 1209-1221, 2009.
, “ALTITUDINAL CLINAL VARIATION IN WING SIZE AND SHAPE IN AFRICAN DROSOPHILA MELANOGASTER: ONE CLINE OR MANY?”, Evolution, vol. 67, pp. 438–452, 2012.
, “Evaluating error propagation in coupled land-atmosphere models”, Earth Interactions, vol. 15, 2011.
, “Active-Space Coupled-Cluster Study of Electronic States of Be 3”, The Journal of Chemical Physics, vol. 123, no. 7, p. 6 pages, 2005.
, “Extensive Generalization of Renormalized Coupled-Cluster Methods”, The Journal of Chemical Physics, vol. 122, no. 7, 2005.
, “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.
, “Non-iterative Coupled-Cluster Methods for Excited Electronic States”, in Progress in Theoretical Chemistry and Physics, vol. 15, 2006, pp. 45-106.
, “Active-Space Equation-of=Motion Coupled-Cluster Methods for Excited States of Radicals and Other Open-Shell Systems: EA-EOMCCSDt and IP-EOMCCSDt”, Journal of Chemical Physics, vol. 123, no. 13, p. 14 pages, 2005.
, “New Alternatives for Accurate Electronic Structure Calculations of Potential Energy Surfaces Involving Bond Breaking”, in Electron Correlation Methodology, vol. 958, Washington, DC: American Chemical Sociegy, 2007.
, “Automated derivation and parallel computer implementation of renormalized and active-space coupled-cluster methods”, International Journal of Quantum Chemistry, vol. 106, no. 1, pp. 79–97, 2006.
, “Method of moments of coupled-cluster equations: a new formalism for designing accurate electronic structure methods for ground and excited states”, Theoretical Chemistry Accounts: Theory, Computation, and Modeling, vol. 112, pp. 349–393, 2004.
, “Balancing Dynamic and Non-Dynamic Correlation for Diradical and Aromatic Transition States: A Renormalized Coupled-Cluster Study of the Cope Rearrangement of 1,5-Hexadiene”, Journal of the American Chemical Society, vol. 127, no. 8, pp. 2608-2614, 2005.
, “Left-Eigenstate Completely Renormalized Equation-of-motion Coupled-Cluster Methods: Review of Key Concepts, Extension to Excited States of Open-Shell Systems, and Comparison with Electron-Attached and ionized Approaches”, International Journal of Quantum Chemistry, vol. 109, no. 14, pp. 3268-3304, 2009.
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