Sarah R. Whittleton
Affiliations: | 2013-2015 | Chemistry | Dalhousie University, Halifax, Nova Scotia, Canada |
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Parents
Sign in to add mentor| Russell J. Boyd | grad student | ||
| Erin R. Johnson | post-doc | 2013-2015 | Dalhousie University |
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Publications
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| Whittleton SR, Otero-de-la-Roza A, Johnson ER. (2017) Exchange-hole dipole dispersion model for accurate energy ranking in molecular crystal structure prediction II: Non-planar molecules. Journal of Chemical Theory and Computation |
| Whittleton SR, Otero-de-la-Roza A, Johnson ER. (2016) The exchange-hole dipole dispersion model for accurate energy ranking in molecular crystal structure prediction. Journal of Chemical Theory and Computation |
| Whittleton SR, Sosa Vazquez XA, Isborn CM, et al. (2015) Density-functional errors in ionization potential with increasing system size. The Journal of Chemical Physics. 142: 184106 |
| Christian MS, Whittleton SR, Otero-de-la-Roza A, et al. (2015) Chemical bonding and surface interactions in Bi2Se3 and Bi4Se3 Computational and Theoretical Chemistry. 1053: 238-244 |
| Whittleton SR, Boyd RJ, Grindley TB. (2013) How do nucleophiles accelerate the reactions of dialkylstannylene acetals? The effects of adding fluoride to dialkoxydi-n-butylstannanes. The Journal of Physical Chemistry. A. 117: 12648-57 |
| Whittleton SR, Rolle AJ, Boyd RJ, et al. (2010) Kinetics and thermodynamics of the monomer-dimer equilibria of dialkoxydibutylstannanes Organometallics. 29: 6384-6392 |
| Whittleton SR, Boyd RJ, Grindley TB. (2009) Homolytic bond-dissociation enthalpies of tin bonds and tin-ligand bond strengths - A computational study1 Canadian Journal of Chemistry. 87: 974-983 |
| Whittleton SR, Boyd RJ, Grindley TB. (2006) Evaluation of effective core potentials and basis sets for the prediction of the geometries of alkyltin halides. The Journal of Physical Chemistry. A. 110: 5893-6 |
| Whittleton SR, Hunter KC, Wetmore SD. (2004) Effects of Hydrogen Bonding on the Acidity of Uracil Derivatives Journal of Physical Chemistry A. 108: 7709-7718 |