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Michelle L. Hall, Ph.D. - Publications

Affiliations: 
2012 Chemistry Columbia University, New York, NY 
Area:
Computational Chemistry
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7 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
2016 Cappel D, Hall ML, Lenselink EB, Beuming T, Qi J, Bradner J, Sherman W. Relative Binding Free Energy Calculations Applied to Protein Homology Models. Journal of Chemical Information and Modeling. 56: 2388-2400. PMID 28024402 DOI: 10.1021/Acs.Jcim.6B00362  0.334
2012 DuBay KH, Hall ML, Hughes TF, Wu C, Reichman DR, Friesner RA. Accurate Force Field Development for Modeling Conjugated Polymers. Journal of Chemical Theory and Computation. 8: 4556-4569. PMID 26605615 DOI: 10.1021/Ct300175W  0.681
2012 Heckel JC, Weisman AL, Schneebeli ST, Hall ML, Sherry LJ, Stranahan SM, DuBay KH, Friesner RA, Willets KA. Polarized Raman spectroscopy of oligothiophene crystals to determine unit cell orientation. The Journal of Physical Chemistry. A. 116: 6804-16. PMID 22571336 DOI: 10.1021/Jp304192V  0.617
2012 Dubay KH, Hall ML, Hughes TF, Wu C, Reichman DR, Friesner RA. Accurate force field development for modeling conjugated polymers Journal of Chemical Theory and Computation. 8: 4556-4569. DOI: 10.1021/ct300175w  0.663
2010 Hall ML, Zhang J, Bochevarov AD, Friesner RA. Continuous Localized Orbital Corrections to Density Functional Theory: B3LYP-CLOC. Journal of Chemical Theory and Computation. 6: 3647-3663. PMID 21286233 DOI: 10.1021/Ct100418N  0.53
2009 Hall ML, Goldfeld DA, Bochevarov AD, Friesner RA. Localized orbital corrections for the calculation of barrier heights in density functional theory. Journal of Chemical Theory and Computation. 5: 2996-3009. PMID 20161583 DOI: 10.1021/Ct9003965  0.66
2009 Schneebeli ST, Hall ML, Breslow R, Friesner R. Quantitative DFT modeling of the enantiomeric excess for dioxirane-catalyzed epoxidations. Journal of the American Chemical Society. 131: 3965-73. PMID 19243187 DOI: 10.1021/Ja806951R  0.651
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