| Title |
Published |
SHARCNET Authors |
Area |
|
701.
"Computational Design of Ruthenium Hydride Olefin Hydrogenation Catalysts Containing Hemilabile Ligands"
|
2009 |
Rowley, C.N.; Woo, T.K.
|
Computational Chemistry
|
|
702.
"DFT - Das Future Tool"
|
2009 |
Jacobsen, H.; Woo, T.K.
|
Computational Chemistry
|
|
703.
."Structural Study of Acidic Metallocavitands and Characterization of their Interactions with Lewis Bases"
|
2009 |
Garon, C.; Gorelsky, S.; Sigouin, O.; Woo, T.K.; Fontaine, F.-G
|
Computational Chemistry
|
|
704.
"Molecular Dynamics Simulations of Equilibrium and Transport Properties of Amino Acid Based Room Temperature Ionic Liquids"
|
2009 |
Sirjoosingh, A.; Alavi, S.; Woo, T.K.
|
Computational Chemistry
|
|
705.
"47/49Ti Solid-State NMR Study of Layered Titanium Phosphates at Ultrahigh Magnetic Field"
|
2009 |
Zhu, J.; Trefiak, N.; Woo, T.K.; Huang, Y.
|
Computational Chemistry
|
|
706.
"A Computational Experiment of the Endo vs. Exo Preference in a Dials-Alder Reaction"
|
2009 |
Rowley, C.N.; Mosey, N.J.; Woo, T.K.
|
Computational Chemistry
|
|
707.
"Mechanism of the Rhodium Catalyzed Hydroacylation of Ketones: A Combined Experimental and Theoretical Study"
|
2009 |
Shen, Z.; Dornan, P. K.; Khan, H.A.; Woo, T.K.; Dong, V.M.
|
Computational Chemistry
|
|
708.
A molecular dynamics study of chirality transfer from chiral surfaces to nearby solvent
|
2009 |
S. Wang, N. M. Cann
|
Computational Chemistry
|
|
709.
Rational optimization of the Whelk-O1 chiral stationary phase using molecular dynamics simulations
|
2009 |
C. Zhao, S. Diemert, N. M. Cann
|
Computational Chemistry
|
|
710.
The reaction of the acrylonitrile ion with HCN : Proton-transport catalysis vs formation of ionized pyrimidine
|
2009 |
H.K. Ervasti, K.J. Jobst, P. Gerbaux, P.C. Burgers, P.J.A. Ruttink, J.K. Terlouw
|
Computational Chemistry
|
|
711.
Estimation of Psychomotor Delay from the Fitts' Law Coefficients
|
2009 |
D.Beamish, S.Bhatti, CS.Chubbs, IS.MacKenzie, J.Wu, Z.Jing
|
Biomedical Modeling and Simulation
|
|
712.
Modelling of turbulent flow and heat transfer in graphitic foams
|
2009 |
Cepek, J, Straatman, AG
|
Fluid Mechanics
|
|
713.
A volume-based discrete test filter for conducting LES with application to physiological flow
|
2009 |
Bahramian, F, Straatman, AG
|
Fluid Mechanics
|
|
714.
An accurate gradient and Hessian reconstruction method for cell-centered finite-volume discretizations on unstructured grids
|
2009 |
Betchen, LJ, Straatman, AG
|
Fluid Mechanics
|
|
715.
Backdoors in Satisfiability Problems
|
2009 |
Zijie Li
|
Artificial intelligence
|
|
716.
Exploration of SU(N_c) gauge theory with many Wilson fermions at strong coupling
|
2009 |
Kei-ichi Nagai, Maria Georgina Carrillo-Ruiz, Gergana Koleva, Randy Lewis
|
Physics
|
|
717.
Adsorption of an Ionic-Complementary Peptide on the Hydrophobic Graphite Surface
|
2009 |
Y. Sheng, W. Wang, P. Chen
|
Chemical Engineering
|
|
718.
Non-bonded force field for the interaction between metals and organic molecules: A case study of olefins on aluminum
|
2009 |
L. T. Kong, C. Denniston, M. H. Müser, and Y. Qi
|
Molecular Simulation Condensed Matter Physics
|
|
719.
Implementation of Green's function molecular dynamics: an extension to LAMMPS
|
2009 |
L. T. Kong, G. Bartels, C. Campana, C. Denniston, and M. H. Müser,
|
Molecular Simulation Condensed Matter Physics
|
|
720.
Dielectric properties of solids in the regular and split-charge equilibration formalisms
|
2009 |
Nistor and Müser
|
Molecular Simulation
|
