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Publications by SHARCNET researchers in 2005

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Title Published SHARCNET Authors Area
41. Rational Design of New Anti-Wear Additives for Engine Lubricants through Molecular Simulation 2005 N.J. Mosey, T.K. Woo, M.H. Muser Computational Chemistry
42. Formation of Zinc Phosphate Polymers and Networks through the Insertion of Metathiophosphates into Zinc Dialkyldithiophosphates 2005 N.J. Mosey, T.K. Woo Computational Chemistry
43. Energy Dissipation via Quantum Chemical Hysteresis during High-Pressure Compression: A First-Principles Molecular Dynamics Study of Phosphates 2005 N.J. Mosey, T.K. Woo, M.H. Muser Computational Chemistry
44. Molecular Mechanisms for the Functionality of Lubricant Additives 2005 N.J. Mosey, M.H. Muser, T.K. Woo Computational Chemistry
45. Functionally relevant protein motions: Extracting basin-specific collective coordinates from molecular dynamics trajectories 2005 P.W. Pan, R. J. Dickson, H.L. Gordon, S.M. Rothstein, S. Tanaka Computational Chemistry
46. “Large Eddy Simulation of scalar transport in turbulent premixed flames 2005 S Tullis, RS Cant Fluid Dynamics
47. Evaluation of the Impact Behaviour of a HDPE and its Subsequent Application to DEM Simulations 2005 P. A. Moysey, M. R. Thompson Chemical Engineering
48. Discrete Element Method: Applications of DEM in Polymer Processing 2005 M. R. Thompson Chemical Engineering
49. Modelling the Solids Inflow and Solids Conveying of Single-Screw Extruders using the Discrete Element Method 2005 P.A. Moysey, M. R. Thompson Chemical Engineering
50. The water elimination from the ethyl acetate radical cation : Answers from theory to a longstanding mechanistic problem 2005 R. Lee, P.J.A. Ruttink, P.C. Burgers, J.K. Terlouw Computational Chemistry
51. The Formation and Evolutions of Protostellar Discs; Three-Dimensional Adaptive Mesh Refinement Hydrosimulations of Collapsing, Rotating Bonnor-Ebert Spheres 2005 R. Banerjee, R.E. Pudritz and Lindsay Holmes Astrophysics
52. Statistical-mechanical theory of rheology: Lennard-Jones fluids 2005 Rozita Laghaei, Afshin Eskandari Nasrabad, Byung Chan Eu Computational Chemistry
53. Smectic ordering of homogeneous semiflexible polymers 2005 R.C. Hidalgo, D.E. Sullivan and J.Z.Y. Chen Condensed Matter Physics
54. Predictions of the Electronic Absorption and Emission Spectra of Luciferin and Oxyluciferin including Solvation Effects. 2005 A. Ren, J. D. Goddard Computational Chemistry
55. Parallel Computing for Sheet Metal Strain Analysis 2005 Chan, H.-L., Spence, A.D., Sklad, M.P. Computational Design and Manufacturing
56. B-Rep Based Parallel Machining Simulation 2005 Fleisig, R.V., Spence, A.D. Computational Design and Manufacturing
57. Automotive Sheet Metal and Grid Digitizing Solutions 2005 Spence, A.D., Chan, H.L., Mitchell, J.P., Capson, D.W. Computational Design and Manufacturing
58. Automotive Sheet Metal and Grid Digitizing Solutions 2005 Spence, A.D., Chan, H.L., Mitchell, J.P., Capson, D.W. Computational Design and Manufacturing
59. Laser Digitizer/Stereo Vision Methods for Simultaneous Measurement/Analysis of Sheet Metal Forming Strain/Geometry 2005 Chan, H.-L., Mitchell, J.P., Spence, A.D., Sklad, M.P, and Capson, D.W. Computational Design and Manufacturing
60. Block-diagonalization of the symmetric first-order coupled-mode system. 2005 Marina Chugunova, Dmitry Pelinovsky Mathematics