☰

Sarah R. Whittleton - Publications

Affiliations: 
2013-2015 Chemistry Dalhousie University, Halifax, Nova Scotia, Canada 
Tree Info Similar researchers PubMed Report error

9 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2017 Whittleton SR, Otero-de-la-Roza A, Johnson ER. Exchange-hole dipole dispersion model for accurate energy ranking in molecular crystal structure prediction II: Non-planar molecules. Journal of Chemical Theory and Computation. PMID 28933853 DOI: 10.1021/Acs.Jctc.7B00715  0.538
2016 Whittleton SR, Otero-de-la-Roza A, Johnson ER. The exchange-hole dipole dispersion model for accurate energy ranking in molecular crystal structure prediction. Journal of Chemical Theory and Computation. PMID 27977188 DOI: 10.1021/Acs.Jctc.6B00679  0.538
2015 Whittleton SR, Sosa Vazquez XA, Isborn CM, Johnson ER. Density-functional errors in ionization potential with increasing system size. The Journal of Chemical Physics. 142: 184106. PMID 25978882 DOI: 10.1063/1.4920947  0.514
2015 Christian MS, Whittleton SR, Otero-de-la-Roza A, Johnson ER. Chemical bonding and surface interactions in Bi2Se3 and Bi4Se3 Computational and Theoretical Chemistry. 1053: 238-244. DOI: 10.1016/J.Comptc.2014.09.023  0.517
2013 Whittleton SR, Boyd RJ, Grindley TB. 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. PMID 24160734 DOI: 10.1021/Jp4094172  0.482
2010 Whittleton SR, Rolle AJ, Boyd RJ, Grindley TB. Kinetics and thermodynamics of the monomer-dimer equilibria of dialkoxydibutylstannanes Organometallics. 29: 6384-6392. DOI: 10.1021/Om100752J  0.447
2009 Whittleton SR, Boyd RJ, Grindley TB. Homolytic bond-dissociation enthalpies of tin bonds and tin-ligand bond strengths - A computational study1 Canadian Journal of Chemistry. 87: 974-983. DOI: 10.1139/V09-033  0.403
2006 Whittleton SR, Boyd RJ, Grindley TB. 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. PMID 16640386 DOI: 10.1021/Jp056996N  0.5
2004 Whittleton SR, Hunter KC, Wetmore SD. Effects of Hydrogen Bonding on the Acidity of Uracil Derivatives Journal of Physical Chemistry A. 108: 7709-7718. DOI: 10.1021/Jp048318R  0.326
Show low-probability matches.