| Title |
Published |
SHARCNET Authors |
Area |
|
61.
Chiral Periodic Mesoporous Organosilicates based on Axially Chiral Monomers
|
2008 |
MacQuarrie, S.; Thompson, M.; Blanc, A.; Mosey, N.J.; Lemieux, R.P.; Crudden, C.M.
|
Computational Chemistry
|
|
62.
On the Pressure-Induced Loss of Crystallinity in Zinc and Calcium Phosphates
|
2008 |
Shakvorstov, D.; Muser, M.H.; Mosey, N.J.; Munoz-Paniagua, D.J.; Pereira, G.; Song, Y.; Norton, P.R.
|
Computational Chemistry
|
|
63.
Are the Radical Centers in Peptide Radical Cations Mobile? The Generation, Tautomerism, and Dissociation of Isomeric α-Carbon-Centered Triglycine Radical Cations in the Gas Phase
|
2008 |
Ivan K. Chu, Junfang Zhao, Minjie Xu, Shiu On Siu, Alan C. Hopkinson, K. W. Michael Siu
|
Computational Chemistry
|
|
64.
Dissociation of the NâCα Bond and Competitive Formation of the [zn â H]â+ and [cn + 2H]+ Product Ions in Radical Peptide Ions Containing Tyrosine and Tryptophan: The Influence of Proton Affinities on Product Formation
|
2008 |
Chi-Kit Siu, Yuyong Ke, Galina Orlova, Alan C. Hopkinson, and K. W. Michael Siu
|
Computational Chemistry
|
|
65.
Structure of the Observable Histidine Radical Cation in the Gas Phase: a Captodative α Radical Ion
|
2008 |
Jeffrey Steill, Junfang Zhao, Chi-Kit Siu, Yuyong Ke, Udo H. Verkerk, Jos Oomens, Robert C. Dunbar, Alan C. Hopkinson, and K.W. Michael Siu
|
Computational Chemistry
|
|
66.
Accuracy of recent potential energy surfaces for the HeâN2 interaction. II. Molecular beam scattering and bulk gas relaxation phenomena
|
2008 |
Jamie Sanchez-Fortún Stoker, Ashok K. Dham, Frederick R. W. McCourt, Alan S. Dickinson
|
Computational Chemistry
|
|
67.
A comparative multi-property analysis of existing models for the He-N2 potential energy surface
|
2008 |
T. Stoecklin, A. Voronin, Ashok K. Dham, Jamie Sanchez-Fortún Stoker, Frederick R. W. McCourt
|
Computational Chemistry
|
|
68.
Binding Energies of the Silver Ion to Alcohols and Amides: A Theoretical and Experimental Study
|
2008 |
Vladimir Romanov, Chi-Kit Siu, Udo H. Verkerka, Houssain El Aribib, Alan C. Hopkinson, K.W. Michael Siu
|
Computational Chemistry
|
|
69.
Dipositively Charged Protonated a3 and a2 Ions: Generation by Fragmentation of [La(GGG)(CH3CN)2]3
|
2008 |
Tujin Shi, Chi-Kit Siu, K. W. Michael Siu, and Alan C. Hopkinson
|
Computational Chemistry
|
|
70.
Dissociations of Copper(II)-Containing Complexes of Aromatic Amino Acids: Radical Cations of Tryptophan, Tyrosine, and Phenylalanine
|
2008 |
Chi-Kit Siu, Yuyong Ke, Yuzhu Guo, Alan C. Hopkinson, and K. W. Michael Siu
|
Computational Chemistry
|
|
71.
Evidence for Hydroxyl Radical Generation During Lipid (Linoleate) Peroxidation
|
2008 |
M. Frenette, J.C. Scaiano
|
Computational Chemistry
|
|
72.
Flat-structural motives in small aluminoâcarbon clusters C<sub>n</sub>Al<sub>m</sub> (n = 2â3, m = 2â8)
|
2008 |
Fedor Y. Naumkin
|
Computational Chemistry
|
|
73.
Validation of Dynamic Models for an Air-Cooled CPU Chip Cooling Device
|
2008 |
R. Zhang, C. Zhang and J. Jiang
|
Computational Chemistry Fluid Dynamics
|
|
74.
First Principles Molecular Simulation of Energetic Materials at High Pressures
|
2008 |
F. Zhang, S. Alavi, A. Hu. T.K. Woo
|
Computational Chemistry
|
|
75.
Determination of NMR Lineshape Anisotropy of Guest Molecules within Inclusion Complexes from Molecular Dynamics Simulations
|
2008 |
S. Alavi, P. Dornan, T.K. Woo
|
Computational Chemistry
|
|
76.
The Mechanism of Olefin Hydrogenation Catalyzed by RuHCl(L)(PR3)2 Complexes (L=CO, PR3)",
|
2008 |
C.N. Rowley, H.M. Foucault, T.K. Woo, D.E. Fogg
|
Computational Chemistry
|
|
77.
Structural and Electronic Properties of NM-Doped Ceria (NM=Pt, Rh); A First Principles Study
|
2008 |
Z. Yang, G. Lao, Z. Lu, T.K. Woo, K. Hermansson
|
Computational Chemistry
|
|
78.
Investigation of Aromatic Hydrocarbons Adsorbed in Zeolite Na-Y by Solid-state NMR Spectroscopy
|
2008 |
J. Zhu, N. Trefiak, T.K. Woo, Y. Huang
|
Computational Chemistry
|
|
79.
6,7-Diaza-1-methoxy-5-methyl-2,8-dioxabicyclo[3.2.1]oct-6-ene. An unstable bicyclic precursor of a dioxa carbonyl ylide and carbenes by ylide ring opening.
|
2008 |
W. Czardybon, W. Sokol, J. Warkentin, and N. H. Werstiuk
|
Computational Chemistry
|
|
80.
Molecular Dynamics Study of Chiral Recognition for the Whelk-O 1 Chiral Stationary Phase
|
2008 |
C.F. Zhao, N.M. Cann
|
Computational Chemistry
|
