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Publications by SHARCNET researchers

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Title Published SHARCNET Authors Area
2121. Statistical mechanics of static and low-velocity kinetic friction 2003 M. H. Müser, M. Urbakh, and M. O. Robbins Molecular Simulation
2122. Finite Temperature Structure and Dynamics of Zinc Dialkyldithiophosphate Wear Inhibitors: A Density Functional Theory and ab initio Molecular Dynamics Study 2003 N.J. Mosey, T.K. Woo Computational Chemistry
2123. On the tribology and rheology of polymer brushes in good solvent conditions: a molecular dynamics study 2003 T. Kreer, M. H. Muser Molecular Simulation
2124. Comment on: ``High-pressure elasticity of alpha-quartz: Instability and ferroelastic transition 2003 M. H. Müser, P. Schöffel Molecular Simulation
2125. Friction between polymer brushes in good solvent conditions: Steady-state sliding versus transient behavior 2003 T. Kreer, K. Binder, M. H. Müser Molecular Simulation
2126. Kinetic friction and atomistic instabilities in boundary-lubricated systems 2003 M. Aichele, M. H. Müser Molecular Simulation
2127. Numerical Simulation of Magnetic Vortices in High Temperature Superconductors 2003 M. E. Gallamore, G. E. D. McCormack, and T. P. Devereaux Condensed Matter Physics
2128. Classification of integrable quadratic Hamiltonians on e(3) 2003 T. Wolf, O. Efimovskaya Applied Mathematics
2129. Estimation of a pKa for dimethoxycarbene 2003 J. P. Guthrie, R.A. More O Computational Chemistry
2130. Origin of the Regiochemistry of Propene Insertion at Octahedral Column 4 Polymerization Catalysts: Design or Serendipity ? 2003 G. Talarico, V. Busico, L. Cavallo Computational Chemistry
2131. Transition Metal Mediated Epoxidation as Test Case for the Performance of Different Density Functionals: A Computational Study 2003 L. Cavallo, H. Jacobsen Computational Chemistry
2132. The Finite Temperature Structure and Dynamics of ZDDP Wear Inhibitors: A Density Functional Theory and ab initio Molecular Dynamics Study 2003 N.J. Mosey, T.K. Woo Computational Chemistry
2133. Ab initio Molecular Dynamics Simulations with a HOMO-LUMO Gap Biasing Potential to Accelerate Rare Reaction Events 2003 N.J. Mosey, A. Hu, T.K. Woo Computational Chemistry
2134. eta-1 versus eta-5 Bonding Modes of Cp*Al(I) Adducts of Borafluorenes 2003 P.E. Romero, W.E. Piers, S. Decker, D. Chau, T.K. Woo, M. Parvez Computational Chemistry
2135. Multiresolution Biomedical Image Registration Using Generalized Information Measures 2003 Mark Wachowiak, Renata Smolikova, Terry Peters Image Processing Biophysics
2136. Direct Monte Carlo Simulation of Joule-Thomson Expansion Processes 2003 W.R. Smith, M. Lisal Materials Simulations
2137. Direct Monte Carlo Simulation of Joule-Thomson Expansion and its Application for Alternative Refrigerant Fluid HFC-32 2003 Lisal M., Aim K., Smith W. R. Materials Simulations
2138. Adiabatic Monte Carlo Simulations of Reacting and Non-Reacting Systems 2003 Aim K., Lisal M., Smith W. R. Materials Simulations
2139. An ab initio and AIM study on the molecular structure and stability of small CuxSy-1 clusters 2003 Boris Ni, James R. Kramer, and Nick H. Werstiuk Computational Chemistry
2140. A three-dimensional adaptive wavelet method for fluid--structure interaction 2003 N. Kevlahan, O. Vasilyev, D. Goldstein, A. Jay Fluid Mechanics