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.