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Publications by SHARCNET researchers

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Title Published SHARCNET Authors Area
761. Meta-substituted thienyl benzenes: A comparative synthetic, structural and computational study 2009 A. L. P. Cornacchio, J. T. Price, M. C. Jennings, R. McDonald, V. N. Staroverov, N. D. Jones Computational Chemistry
762. Density Functional Study of 13-Atom Metal Clusters M$_{13}$, M=Ta--Pt. 2009 Min Zhang and Rene Fournier Computational Chemistry
763. Structural and Electronic Properties of 13-atom $4d$ Transition Metal Clusters 2009 Yan Sun, Rene Fournier, and Min Zhang Computational Chemistry
764. The Self-consistent Charge Equilibration Method And Its Application to Au$_{13}$Na$_n$ ($n$=3--10) Clusters 2009 Min Zhang and Rene Fournier Computational Chemistry
765. Simulation and First Test of a Microdosimetric Detector Based on a Thick Gas Electron Multiplier 2009 S.H. Byun, G.M. Spirou, A. Hanu, W.V. Prestwich, A.J. Waker Medical Physics
766. Nonrelativistic \textit{ab initio} calculations for $2 ^{2}S$, 2009 L.-Y. Tang, Z.-C. Yan, T.-Y. Shi, J. F. Babb Theoretical atomic and molecular physics
767. Identification and Characterization of an Intermediate Taxol Binding Site Within Microtubule Nanopores and a Mechanism for Tubulin Isotype Binding Selectivity 2009 H. Freedman, T. Huzil, T. Luchko, R. Luduena, J.A. Tuszynski,
768. Characterization of an Inhibitory Pharmacophore for the ERCC1-XPA Interaction Using a Combined Molecular Dynamics and Virtual Screening Approach 2009 K. Barakat, J.T. Huzil, C. Dumontet, L. Jordheim, J.A. Tuszynski
769. Colloids with a tunable dipolar interaction: Equation of state and order parameters via confocal microscopy 2009 N. Li, H. Newman, M. Valera, I. Saika-Voivod, and A. Yethiraj Materials Simulations
770. Test of classical nucleation theory and mean first-passage time formalism on crystallization in the Lennard-Jones liquid 2009 Sarah E.M. Graham and Ivan saika-Voivod Materials Simulations
771. Crystal nucleation in a supercooled liquid with glassy dynamics 2009 Ivan Saika-Voivod, Richard K. Bowles, and Peter H. Poole Materials Simulations
772. Effect of Selective Accommodation on Soot Aggregate Shielding in Time-Resolved Laser-Induced Incandescence Experiments 2009 K. J. Daun Molecular Dynamics
773. Thermal Accommodation Coefficients between Polyatomic Gas Molecules and Soot in Laser-Induced Incandescence Experiments 2009 K. J. Daun Molecular Dynamics
774. Prediction of the Size Distributions of Methanol-Ethanol Clusters Detected in VUV Laser/Time-of-Flight Mass Spectrometry 2009 Yi Liu, Styliani Consta,Yujun Shi, R. H. Lipson, and William A. Goddard III Molecular Simulation
775. Monte Carlo study of degenerate groundstates and residual entropy in a frustrated honeycomb lattice Ising model 2009 Shawn Andrews, Hans De Sterck, Stephen Inglis, and Roger G. Melko Scientific Computing
776. Conformation Switching in Gas-Phase Complexes of Histidine with Alkaline Earth Ions 2009 R. C. Dunbar, A. C. Hopkinson, J. Oomens, C.-K. Siu, K. W. M. Siu, J. D. Steill, U. H. Verkerk, J. F. Zhao Computational Chemistry
777. Global Functional Atlas of Escherichia coli Encompassing Previously Uncharacterized Proteins 2009 Hu P, Janga SC, Babu M, Díaz-Mejía JJ, Butland G, Yang W, Pogoutse O, Guo X, Phanse S, Wong P, Chandran S, Christopoulos C, Nazarians-Armavil A, Nasseri NK, Musso G, Ali M, Nazemof N, Eroukova V, Golshani A, Paccanaro A, Greenblatt JF, Moreno-Hagelsieb G, Emili A Computational Biology, Systems Biology
778. PIMC Simulation of nu_3 Vibrational Shifts for CO2 in (He)n Cluster ritically Tests the He-CO2 Potential Energy Surfaces 2009 H. Li, N. Blinov, P.-N. Roy and R.J. Le Roy Molecular Simulation
779. Comparison of predicted native structures of Met-enkephalin based on various accessible-surface-area solvent models 2009 L. Zhan, J. Z.-Y. Chen, W.-K. Liu Physics
780. Improving reptation quantum Monte Carlo 2009 W-K. Yuen, D. Oblinsky, R. D. Giacometti, S. M. Rothstein Biophysics