Publications by SHARCNET researchers

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Title Published SHARCNET Authors Area
861. "Reaction Dynamics of β-Hydrogen Transfer in the Zirconocene Olefin Polymerization Catalyst: A DFT Path Sampling Study" 2008 Rowley, C.N.; Woo, T.K. Computational Chemistry
862. "Analysis of the Critical Step in Catalytic Carbodiimide Transformation: Proton Transfer from Amines, Phosphines, and Alkynes to Guanidinates, Phosphaguanidinates, and Propiolamidinates with Li and Al Catalysts" 2008 Rowley, C.N.; Ong, T.-G.; Priem, J.; Richeson, D.; Woo, T. K. Computational Chemistry
863. "DFT Study of the Isomerization and Spectroscopic/Structural Properties of Ruthenacyclobutane Intermediates Revelant to Olefin Metathesis" 2008 Rowley, C.N.; van der Eideb, E.F.; Piers, W.E.; Woo, T.K. Computational Chemistry
864. "Amidolithium and Amidoaluminum Catalyzed Synthesis of Substituted Guanidines: An Interplay of DFT Modeling and Experiment" 2008 Rowley, C.N.; Ong, T.-G.; Priem, J.; Woo, T. K.; Richeson, D. Computational Chemistry
865. "Atom Efficient Cyclotrimerization of Dimethylcyanamide Catalyzed by Aluminum Amide: A Combined Experimental and Theoretical Investigation" 2008 Dornan, P.; Rowley, C.N.; Priem, J.; Barry, S. T.; Woo, T. K. Richeson, D. Computational Chemistry
866. "A Path Sampling Study of Ru-Hydride Catalyzed H2-Hydrogenation of Ethylene" 2008 Rowley, C.N.;Woo, T.K. Computational Chemistry
867. Elastic contact between self-affine surfaces: comparison of numerical stress and contact correlation functions with analytic predictions 2008 Campana, Müser and Robbins Molecular Simulation
868. Cholesterol Shows Preference for the Interior of Polyunsaturated Lipid Membranes 2008 S. J. Marrink, A. H. de Vries, T. A. Harroun, J. Katsaras, S. R. Wassall Biophysics
869. First supernovae in dwarf protogalaxies 2008 E. O. Vasiliev, E. I. Vorobyov, Yu. A. Shchekinov Astrophysics
870. High threshold universal quantum computation on the surface code 2008 Austin G. Fowler, Ashley M. Stephens. P. Groszkowski Quantum computing, theoretical atomic physics
871. Anisotropic Triangular-Quadrilateral Mesh Adaptation for Low-Speed Incompressible Flow 2008 A. R. Baserinia and G.D. Stubley, Computational Fluid Dynamics
872. Temperature dependent vibrational spectra and bond dynamics in hydrogenated amorphous silicon 2008 I. M. Kupchak, F. Gaspari, A.I. Shkrebtii, and J. M. Perz Condensed Matter Physics
873. Quantum chaos and tunneling in the kicked top 2008 S. Ghose, C. R. Paul and R. Stock Quantum Information, Quantum Optics
874. Chaos, entanglement and decoherence in the quantum kicked top 2008 S. Ghose, R. Stock, P. Jessen, R. Lal and A. Silberfarb Quantum Information, Quantum Optics
875. Investigations of strong hydrogen bonding in (ROH)n-FHF- (n = 1, 2 and R = H, CH3, C2H5) clusters via high pressure mass spectrometry and quantum calculations. 2008 Nieckarz, R.J.; Oldridge, N.; Fridgen, T.D.; Li, G.P.; Hamilton, I.P.; McMahon, T.B. Computational Chemistry
876. Field effects on the electronic and spin properties of undoped and doped graphene nanodots 2008 H. Zheng, W. W. Duley Astrophysics
877. First principles study of edge chemical modifications in graphene nanodots 2008 H. Zheng W. W. Duley Astrophysics
878. Simulating hydromagnetic processes in star formation: introducing ambipolar diffusion into an adaptive mesh refinement code. 2008 Duffin, D.F., & Pudritz, R.E. Astrophysics
879. Resonances with unnatural parities in the positron-hydrogen system 2008 Z.-C. Yan, Y. K. Ho Theoretical atomic and molecular physics
880. High precision atomic theory for Li and Be$^+$: 2008 Z.-C. Yan, W. N\"ortersh\"auser, G. W. F. Drake Theoretical atomic and molecular physics