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Publications by SHARCNET researchers

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Title Published SHARCNET Authors Area
2041. Insights into the Chemical Nature of Zinc Dialkyldithiophosphate Anti-Wear Additives in their Isomeric and Decomposed Forms from Molecular Simulation 2004 N.J. Mosey, T.K. Woo Computational Chemistry
2042. Adsorption Modes of CO on CeO2 Surfaces from First Principles Calculations 2004 Z. Yang, T.K. Woo, K. Hermansson Computational Chemistry
2043. Mechanism for the formation of gas-phase protonated alcohol-ether aducts by VUV laser ionization and density-functional calculations 2004 S. Lam, Y.J. Shi, N.J. Mosey, T.K. Woo, R.H. Lipson Computational Chemistry
2044. Atomic and Electronic Structure of Unreduced and Reduced CeO2 Surfaces: A First-principles Study 2004 Z. Yang, T.K. Woo, M. Baudin, K. Hermansson Computational Chemistry
2045. A Quantum Chemical Study of the Unimolecular Decomposition Mechanisms of Zinc Dialkyldithiophosphate Anti-wear additives 2004 N.J. Mosey, T.K. Woo Computational Chemistry
2046. Mapping molecular models to continuum theories for partially miscible fluids 2004 C. Denniston Condensed Matter Physics
2047. Computer simulations of forced stretching of proteins 2004 A. Lemak, J.R. Lepock, J.Z.Y. Chen
2048. Structral conversion in proteins due to mutation 2004 H. Imamura and J.Z.Y. Chen
2049. Raman scattering of complex sodium aluminum hydride for hydrogen storage 2004 Daniel J. Ross, Mathew D. Halls, Abbas G. Nazri, Ricardo F. Aroca Condensed Matter Physics
2050. Compact Support Radial Basis Functions for Soft Tissue Deformation 2004 Mark P. Wachowiak, Xiaogang Wang, Aaron Fenster, Terry M. Peters Image Processing Biophysics
2051. Structure, electronic density of states and electric field gradients of icosahedral AlCuFe: An ab initio study of the original and a modified Cockayne model 2004 E.S. Zijlstra, J. Kortus, M. Krajci, Z.M. Stadnik, S.K. Bose Condensed Matter Physics
2052. Atomic structure, Electronic States, and Stability of Icosahedral Quasicrystals 2004 E. S. Zijlstra and S. K. Bose Condensed Matter Physics
2053. Quantum creep and quantum creep transitions in 1D sine-Gordan chains 2004 Florian R. Krajewski, Martin H. Müser Molecular Simulation
2054. A spectroscopic and computer simulation study of butanol vapors 2003 G. S. Fanourgakis, Y. J. Shi, S. Consta, and R. H. Lipson Molecular Simulation
2055. Neural engineering: Representation, computation, and dynamics in neurobiological systems 2003 C Eliasmith, CH Anderson Computational Neuroscience
2056. Creating three pentacoordinate carbons in a six-membered ring. An AIM and ELF study on the trishomocyclopropenyl cation and phosphorus, sulfur, arsenic, and selenium analogues. 2003 N. H. Werstiuk and Y-G. Wang Computational Chemistry
2057. An ab Initio and AIM study on the molecualr structure and stability of small CuxSy- clusters. 2003 B. Ni, J. R. Kramer, and N. H. Werstiuk Computational Chemistry
2058. Local time for processes indexed by a partially ordered set 2003 B.G. Ivanoff, P. Sawyer Mathematics
2059. The product formula for the spherical functions on symmetric spaces of noncompact type 2003 P. Graczyk, P. Sawyer Mathematics
2060. Some convexity results for the Cartan decomposition 2003 P. Graczyk, P. Sawyer Mathematics