Publications

  • Wendy A. Sears, Marissa L. Hudolin, Hillary A. Jenkins, Robert C. Mawhinney and Craig D. MacKinnon. Competition between coordination bonds and hydrogen bonds: The nitrile-silver(I) interaction using dicyanobithiophene as ligand, J. Coord. Chem., 2008, 61, 824-834.
  • Robert C. Mawhinney and John D. Goddard. A Theoretical Study of H(S2N2)XH (X=1, 2, 3, 4, 5): modeling the superconducting polymer (SN)X, J. Mol. Struct-THEOCHEM., 2008,856, 16-29.
  • Robert C. Mawhinney, Heidi M. Muchall and Gilles H. Peslherbe. Characterizing Nitrilimines with Nuclear Magnetic Resonance Spectroscopy. A Theoretical Study, J. Phys. Chem. B,2008, 112, 650-655.
  • Svetlana Popenova, Robert C. Mawhinney and Georg H. Schreckenbach. Density Functional Study of Lithium Hexamethyldisilazide (LiHMDS) Complexes: Effects of Solvation and Aggregation, Inorg. Chem., 2007, 46, 3856-3864.
  • Robert C. Mawhinney, Heidi M. Muchall and Gilles H. Peslherbe. A Computational Study of the 1,3-Dipolar Cycloaddition Reaction Mechanism for Nitrilimines, Can. J. Chem., 2005,83, 1615–1625.
  • Robert C. Mawhinney, Heidi M. Muchall and Gilles H. Peslherbe. The Electronic Structure of Nitrilimines Revisited, Chem. Comm., 2004, 1862–1863.
  • Robert C. Mawhinney and Georg Schreckenbach. NMR Quantum Computing: Applying Theoretical Methods to Designing Enhanced Systems, Magn. Reson. Chem., 2004, 42, S88-S98.
  • Robert C. Mawhinney, Heidi M. Muchall and Jean Lessard. A Theoretical Analysis of the Conformational Behaviour of Substituted Methylenecyclohexanes, Can. J. Chem., 2003, 81, 1101–1108.
  • Robert C. Mawhinney and John D. Goddard. The Lowest Singlet and Triplet Potential Energy Surfaces of S2N2, Inorg. Chem., 2003, 42, 6323–6337.
  • Robert C. Mawhinney and John D. Goddard. Assessment of Density Functional Theory for the Prediction of the Nature of the Oxirene Stationary Point, J. Mol. Struct-THEOCHEM.,2003, 629, 263–270.

Poster and Oral Presentations (asterik indicates presenter)

  • Robert C. Mawhinney*. "Alkynes and Alkyne Analogs: A Comparative Analysis of Substituent Effects" Dalton Discussion 11: The Renaissance of Main Group Chemistry", University of California, Berkeley, USA, 2008.
  • Robert C. Mawhinney*. "Assessing Quinoidal Structure in the Derivatives of Heavier Analogs of TCNQ" 91st Canadian Chemistry Conference and Exhibition", Edmonton, Alberta, Canada, 2008.
  • Ashlyn P. Field* and Robert C. Mawhinney. "Re-Evaluating the Alkyne Bond" 91st Canadian Chemistry Conference and Exhibition", Edmonton, Alberta, Canada, 2008.
  • Svetlana Popenova, Robert C. Mawhinney and Georg Schreckenbach*. "Computational Study of Lithium Hexamethyl Disilazide (LiHMDS) Complexes: Effects of Solvation and Aggregation" 91st Canadian Chemistry Conference and Exhibition", Edmonton, Alberta, Canada, 2008.
  • Robert C. Mawhinney*. "Insights into the Theoretical Model Sensitivity of the Ring-Opening mode of Oxirene from an Analysis of the Electron Density" 90th Canadian Chemistry Conference and Exhibition", Winnipeg, Manitoba, Canada, 2007.
  • Robert C. Mawhinney*, Alain Lesimple, Xun He, Tak-Hang Chan, Orval Mamer and Gilles H. Peslherbe. "Computational Studies of the Fragmentation of Imidazolium Cations" 6th Annual Centre for Research in Molecular Modeling Symposium, Montreal, 2006.