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