| 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-afï¬Âne 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
|
