2013

  • Gino DiLabio, Mohammad Koleini, Edmanuel Torres Extension of the B3LYP–dispersion-correcting potential approach to the accurate treatment of both inter- and intra-molecular interactions.  Theoretical Chemistry Accounts, vol. 132 issue 10 October 2013. p. 1 – 13

  • Edmanuel Torres and Gino DiLabio. Density-Functional Theory with Dispersion-Correcting Potentials for Methane: Bridging the Efficiency and Accuracy Gap between High-Level Wave Function and Classical Molecular Mechanics Methods  Journal of Chemical Theory and Computation  vol. 9 issue: 8   Pages: 3342-3349

  • Marek Osacky, Mirjavad Geramian, Douglas G. Ivey, Qi Liu and Thomas H. Etsell, Mineralogical and Chemical Composition of Petrologic End Members of Alberta Oil Sands, Fuel, 113, 148-57 (2013).

  • M. Osacky, M. Geramian, M. D. Dyar, E. C. Sklute, M. Valter, D. G. Ivey, Q. Liu and T. H. Etsell, Characterization of Petrologic End Members of Oil Sands from the Athabasca Region, Alberta, Canada, Canad. J. Chem. Eng., 91, 1402-15 (2013).

  • García Zapata, J.L., De Klerk, A. Solvent moderation of hardening during oxidative desulfurization of bitumen. Prepr. Pap.-Am. Chem. Soc., Div. Energy Fuels, 58:1 (2013) 964-965.

  • H. Ziaei-Azad, C.-X. Yin, J. SHEN, Y. Hu, D. Karpuzov, N. Semagina. Size- and structure-controlled mono- and bimetallic Ir-Pd nanoparticles in selective ring opening of indan.  Journal of Catalysis 300 (2013) 113-124.

  • J. Shen, X. Yin, D. Karpuzov, N. Semagina. PVP-stabilized mono- and bimetallic Ru nanoparticles for selective ring opening. Catalysis Science & Technology 3 (2013) 208-221

  • Jeffrey Bunquin, Michael J Ferguson, and Jeffrey Stryker. Hydrocarbon-Soluble Nanocatalysts with no Bulk Phase:  Coplanar Two-Coordinate Arrays of the Base Metals. Journal of the American Chemical Society.  Pages: 5537-5540. Vol: 135. Issue: 15. (2013).

  • Fafard, J.; Lyubimova, O.; Stoyanov, S. R.; Dedzo, G. K.; Gusarov, S.; Kovalenko, A.; Detellier, C. Adsorption of Indole on Kaolinite in Nonaqueous Media: Organoclay Preparation and Characterization, and 3D-RISM-KH Molecular Theory of Solvation Investigation. J. Phys, Chem. C 2013, 117, 18556-18566.

  • Ali H. Alshareef, Xiaoli Tan, Colin Diner, Jun Zhao, Alexander Scherer, Khalid Azyat, Jeffrey Mark Stryker, Rik R. Tykwinski, and Murray R. Gray. Binary Interactions in Coke Formation from Model Compounds and Asphaltenes. Energy Fuels, 2013 (DOI: 10.1021/ef401967v).

  • Habib, Farhood Karbalaee; Diner, Colin; Stryker, Jeffrey M.; Semagina, Natalia; Gray, Murray R.  Suppression of addition reactions during thermal cracking using hydrogen and sulfided iron catalyst.  Energy and Fuels, v 27, n 11, p 6637-6645, November 21, 2013

  • Derakhshesh, Marzie; Bergmann, Alexander; Gray, Murray R.  Occlusion of polyaromatic compounds in asphaltene precipitates suggests porous nanoaggregates.   Energy and Fuels, v 27, n 4, p 1748-1751, April 18, 2013

  • Amani, Mohammad J.; Gray, Murray R.; Shaw, John M. Volume of mixing and solubility of water in Athabasca bitumen at high temperature and pressure.  Fluid Phase Equilibria, v 358, p 203-211, November 5, 2013

  • Amani, Mohammad J.; Gray, Murray R.; Shaw, John M.  Phase behavior of Athabasca bitumen + water mixtures at high temperature and pressure.   Journal of Supercritical Fluids, v 77, p 142-152, 2013

  • Nikakhtari, Hossein; Vagi, Lisa; Choi, Phillip; Liu, Qi; Gray, Murray R.  Solvent screening for non-aqueous extraction of Alberta oil sands. Canadian Journal of Chemical Engineering, v 91, n 6, p 1153-1160, June 2013

  • Wang, Shanshan; Liu, Qi; Tan, Xiaoli; Xu, Chunming; Gray, Murray R.  Study of asphaltene adsorption on kaolinite by X-ray photoelectron spectroscopy and time-of-flight secondary ion mass spectroscopy.   Energy and Fuels, v 27, n 5, p 2465-2473, May 16, 2013

  • Nikakhtari, Hossein; Vagi, Lisa; Choi, Phillip; Liu, Qi; Gray, Murray R.  Solvent screening for non-aqueous extraction of Alberta oil sands.   Canadian Journal of Chemical Engineering, v 91, n 6, p 1153-1160, June 2013

  • Wang, Shanshan; Liu, Qi; Tan, Xiaoli; Xu, Chunming; Gray, Murray R.  Study of asphaltene adsorption on kaolinite by X-ray photoelectron spectroscopy and time-of-flight secondary ion mass spectroscopy.   Energy and Fuels, v 27, n 5, p 2465-2473, May 16, 2013

  • Stoyanov, Stanislav R.; Yin, Cindy-Xing; Gray, Murray R.; Stryker, Jeffrey M.; Gusarov, Sergey; Kovalenko, Andriy.  Density functional theory investigation of the effect of axial coordination and annelation on the absorption spectroscopy of nickel(II) and vanadyl porphyrins relevant to bitumen and crude oils. Canadian Journal of Chemistry, v 91, n 9, p 872-878, September 2013

  • Rueda-Velásquez, Rosa I.; Freund, Howard; Qian, Kuangnan; Olmstead, William N.; Gray, Murray R.  Characterization of asphaltene building blocks by cracking under favorable hydrogenation conditions.   Energy and Fuels, v 27, n 4, p 1817-1829, April 18, 2013

  • Derakhshesh, Marzie; Gray, Murray R.; Dechaine, Greg P.  Dispersion of asphaltene nanoaggregates and the role of Rayleigh scattering in the absorption of visible electromagnetic radiation by these nanoaggregates.  Energy and Fuels, v 27, n 2, p 680-693, February 21, 2013