| Title |
Published |
SHARCNET Authors |
Area |
|
41.
Differentiation of the pyridine radical cation from its distonic isomers by ion-molecule reactions with dioxygen
|
2009 |
K.J. Jobst, J. De Winter, R. Flammang, J.K. Terlouw, P. Gerbaux
|
Computational Chemistry
|
|
42.
Structural and Electronic Properties of 13-atom $4d$ Transition
Metal Clusters
|
2009 |
Yan Sun, Rene Fournier, and Min Zhang
|
Computational Chemistry
|
|
43.
Methionine, alpha-methylmethionine and S-methylcysteine radical cations: generations and dissociations in the gas phase
|
2009 |
Junfang Zhao, C. M. Dominic Ng, Ivan K. Chu, K. W. Michael Siu and Alan C. Hopkinson
|
Computational Chemistry
|
|
44.
Threshold Collision-Induced Dissociation Measurements using a Ring Ion Guide as the Collision Cell in a Triple-Quadrupole Mass Spectrometer
|
2009 |
Vladimir Romanov, Udo H. Verkerk, Chi-Kit Siu, Alan C. Hopkinson, K.W. Michael Siu
|
Computational Chemistry
|
|
45.
Meta-substituted thienyl benzenes: A comparative synthetic, structural and computational study
|
2009 |
A. L. P. Cornacchio, J. T. Price, M. C. Jennings, R. McDonald, V. N. Staroverov, N. D. Jones
|
Computational Chemistry
|
|
46.
"DFT - Das Future Tool"
|
2009 |
Jacobsen, H.; Woo, T.K.
|
Computational Chemistry
|
|
47.
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
|
|
48.
The cysteine radical cation: structures and fragmentation pathways
|
2008 |
Junfang Zhao, K. W. Michael Siu and Alan C. Hopkinson
|
Computational Chemistry
|
|
49.
"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
|
|
50.
"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
|
|
51.
"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
|
|
52.
The covalently bound HNC dimer ion HNCCNH has a kinetically stable neutral counterpart
|
2008 |
Karl J. Jobst, M. Ruzni Hanifa, Johan K. Terlouw
|
Computational Chemistry
|
|
53.
On the interaction of peptides with calcium ions as studied by matrix-assisted laser desorption/ionization Fourier transform mass spectrometry: Towards peptide fishing using metal ion baits
|
2008 |
Karl J. Jobst, Johan K. Terlouw, Theo M. Luider, P.C. Burgers
|
Computational Chemistry
|
|
54.
"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
|
|
55.
"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
|
|
56.
UV photoelectron spectroscopic and computational study of 7-substituted cycloheptatrienes.
|
2008 |
T. Bajorek, N. H. Werstiuk
|
Computational Chemistry
|
|
57.
QTAIM-DI-VISAB computational study on the Diels-Alder reaction of cyclopentadiene - On the nature of the so-called secondary orbital interactions.
|
2008 |
N. H. Werstiuk, W. Sokol
|
Computational Chemistry
|
|
58.
A cryptand-encapsulated germanium(II) dication
|
2008 |
P. A. Rupar, V. N. Staroverov, and K. M. Baines
|
Computational Chemistry
|
|
59.
Towards gold shells shaped by carbon cores: From a gold cage to a core-shell aurocarbon
|
2008 |
Fedor Y. Naumkin
|
Computational Chemistry
|
|
60.
Trapped-molecule charge-transfer complexes with huge dipoles: M-C<sub>2</sub>F<sub>6</sub>-X (M = Na to Cs, X = Cl to I)
|
2008 |
Fedor Y. Naumkin
|
Computational Chemistry
|
