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Casey P. Kelly, Ph.D. - Publications

Affiliations: 
2007 University of Minnesota, Twin Cities, Minneapolis, MN 
Area:
Theoretical and Computational Chemistry
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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
2010 Liu J, Kelly CP, Goren AC, Marenich AV, Cramer CJ, Truhlar DG, Zhan CG. Free Energies of Solvation with Surface, Volume, and Local Electrostatic Effects and Atomic Surface Tensions to Represent the First Solvation Shell. Journal of Chemical Theory and Computation. 6: 1109-1117. PMID 20419072 DOI: 10.1021/Ct100025J  0.658
2008 Su P, Wu W, Kelly CP, Cramer CJ, Truhlar DG. VBSM: a solvation model based on valence bond theory. The Journal of Physical Chemistry. A. 112: 12761-8. PMID 18671376 DOI: 10.1021/Jp711655K  0.632
2007 Marenich AV, Olson RM, Kelly CP, Cramer CJ, Truhlar DG. Self-Consistent Reaction Field Model for Aqueous and Nonaqueous Solutions Based on Accurate Polarized Partial Charges. Journal of Chemical Theory and Computation. 3: 2011-33. PMID 26636198 DOI: 10.1021/Ct7001418  0.674
2007 Kelly CP, Cramer CJ, Truhlar DG. Single-ion solvation free energies and the normal hydrogen electrode potential in methanol, acetonitrile, and dimethyl sulfoxide. The Journal of Physical Chemistry. B. 111: 408-22. PMID 17214493 DOI: 10.1021/Jp065403L  0.623
2006 Kelly CP, Cramer CJ, Truhlar DG. Aqueous solvation free energies of ions and ion-water clusters based on an accurate value for the absolute aqueous solvation free energy of the proton. The Journal of Physical Chemistry. B. 110: 16066-81. PMID 16898764 DOI: 10.1021/Jp063552Y  0.626
2006 Kelly CP, Cramer CJ, Truhlar DG. Adding explicit solvent molecules to continuum solvent calculations for the calculation of aqueous acid dissociation constants. The Journal of Physical Chemistry. A. 110: 2493-9. PMID 16480309 DOI: 10.1021/Jp055336F  0.638
2005 Kelly CP, Cramer CJ, Truhlar DG. SM6:  A Density Functional Theory Continuum Solvation Model for Calculating Aqueous Solvation Free Energies of Neutrals, Ions, and Solute-Water Clusters. Journal of Chemical Theory and Computation. 1: 1133-52. PMID 26631657 DOI: 10.1021/Ct050164B  0.67
2005 Kelly CP, Cramer CJ, Truhlar DG. Accurate partial atomic charges for high-energy molecules using class IV charge models with the MIDI! basis set Theoretical Chemistry Accounts. 113: 133-151. DOI: 10.1007/S00214-004-0624-X  0.605
2004 Kelly CP, Cramer CJ, Truhlar DG. Predicting Adsorption Coefficients at Air−Water Interfaces Using Universal Solvation and Surface Area Models The Journal of Physical Chemistry B. 108: 12882-12897. DOI: 10.1021/Jp037210T  0.58
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