Theses from the Schreckenbach Group

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  1. Jeffery Perkins, " Screening Computational Parameters for Dye Sensitized Solar Cells ", M.Sc. thesis, 2017, 118 pages.

  2. Nishad Rathod, "DFT Study of Chemical and Physical Trends of Organometallic Compounds in the Actinide Series", undergraduate thesis (B.Sc. Honours), 2017, 28 pages.

  3. Xiaobin Zhang, "DFT Benchmarking Studies for Uranium Compounds", M.Sc. thesis, 2016, 109 pages.

  4. Craig A. Peeples, "Implementation of the SM12 Solvation Model into ADF and ADF-BAND", M.Sc. thesis, 2016, 195 pages.

  5. Akef T. Afaneh, "Computational Investigations of the Electronic Structure of Molecular Mercury Compounds: Ion-Selective Sensors", Ph.D. thesis, 2015, 340 pages.

  6. Shaun MacLean, "Computational Study of a Binuclear Pentavalent Uranyl Complex in a Schiff-base Polypyrrolic Macrocycle", undergraduate thesis (B.Sc. Honours), 2014, 16 pages.

  7. Scott J. McKay, "Computational Analysis of the Dye Regeneration Mechanism in Dye Sensitized Solar Cells", undergraduate thesis (B.Sc. Honours), 2013, 28 pages.

  8. Samuel O. Odoh "Relativistic Quantum Chemistry Applied to Actinides", Ph.D. thesis, 2012, 339 pages.
  9. Justine Reyes "Theoretical Study of the Structural Properties of Plutonium(VI) Hydroxide Complexes", undergraduate thesis, 2012, 18 pages.
  10. Craig Peeples "Actinyl Peroxide: A Look Into the Periodic Trends of Uranium Through Plutonium, in Coordination with Peroxides", undergraduate thesis (B.Sc. Major), 2011, 17 pages.
  11. Robel B. Teklebrhan "Conformational Preferences and Structural Characterization of Prolyl Cis/Trans Isomerization of Carbohydrate-Templated Proline Mimetics of Some Model Peptides Using Computational Methods", M.Sc. thesis, 2009, 165 pages.
  12. Sean M. Walker "Development and Implementation of a New Computational Analysis Tool for Chemical Shifts", undergraduate thesis (B.Sc. Honours), 2008, 20 pages.
  13. John E. C. Wren "Studies of Neptunium(VII) Complexes in Alkaline Solutions", undergraduate thesis (B.Sc. Honours), 2008, 22 pages.
  14. Joel J. P. J. Berard "A Density Functional Study of Actinyl Containing Complexes", M.Sc. thesis, 2008, 161 pages.



Last update: July 19, 2017
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