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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, “Defect-induced rigidity enhancement in layered semiconductors”, Solid State Communications, vol. 150, no. 27-28, pp. 1200 - 1203, 2010.
, “Doping dependence of electronic and mechanical properties of GaSe_{1−x}Te_{x} and Ga_{1−x}In_{x}Se from first principles”, Physical Review B, vol. 82, no. 15, 2010.
, “Effect of membrane thickness on conformational sampling of phospholamban from computer simulations”, Biophysical Journal, vol. 98, no. 5, pp. 805-814, 2010.
, “On the Origin of the Highest Redshift Gamma-Ray Bursts”, \apj, vol. 708, pp. 117-126, 2010.
, “PRIMO/PRIMONA: A coarse-grained model for proteins and nucleic acids that preserves near-atomistic accuracy”, Proteins: Structure, Function, and Bioinformatics, vol. 78, no. 5, pp. 1266-1281, 2010.
, “Constraints on the Density Dependence of the Symmetry Energy”, Physical Review Letters, vol. 102, p. 122701, 2009.
, “Electronic structure of substitutional defects and vacancies in GaSe”, Journal of Physics and Chemistry of Solids, vol. 70, no. 2, pp. 344 - 355, 2009.
, “Strategies for Online Communities”, Strategic Management Journal, vol. 51, pp. 808-822, 2009.
, “Theoretical studies of defect states in GaTe”, Journal of Physics: Condensed Matter, vol. 21, p. 015504, 2009.
, “The influence of cluster emission and the symmetry energy on neutron-proton spectral double ratios”, Physics Letters B, vol. 664, pp. 145–148, 2008.
, “Theoretical studies of defect states in GaTe”, Journal of Physics: Condensed Matter, vol. 21, no. 1, p. 015504, 2008.
, “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.
, “Balancing an accurate representation of the molecular surface in generalized born formalisms with integrator stability in molecular dynamics simulations”, Journal of Computational Chemistry, vol. 27, no. 6, pp. 719–729, 2006.
, “Experimental and Theoretical UV Characterizations of Acetyloacetone and its Isomers”, The Journal of Physical Chemistry A, vol. 110, no. 11, pp. 3920-3926, 2006.
, “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.
, “Molecular Dynamics Simulations of Large Integral Membrane Proteins with an Implicit Membrane Model”, The Journal of Physical Chemistry B, vol. 110, pp. 548–556, 2006.
, “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.
, “Comparison of Low-Order Multireference Many-Body Perturbation Theories”, Journal of Chemical Physics, vol. 122, no. 13, p. 9 pages, 2005.
, “Noniterative Corrections to Extended Coupled-Cluster Energies Employing the Generalized Method of Moments of Coupled-Cluster Equations”, Molecular Physics, vol. 103, no. 15 & 16, pp. 2191-2213, 2005.
, “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.