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Hannah R. Leverentz, Ph. D.

Affiliations: 
Chemistry University of Minnesota, Twin Cities, Minneapolis, MN 
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"Hannah Leverentz"
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Donald G. Truhlar grad student 2007-2012 UMN
 (The Electrostatically Embedded Many-Body Method for the Efficient Computation of Properties of Atmospherically Relevant Nanoparticles.)
Donald G. Truhlar post-doc 2013-2013 UMN

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Publications

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Fiedler L, Leverentz HR, Nachimuthu S, et al. (2014) Nitrogen and Sulfur Compounds in Atmospheric Aerosols: A New Parametrization of Polarized Molecular Orbital Model Chemistry and Its Validation against Converged CCSD(T) Calculations for Large Clusters. Journal of Chemical Theory and Computation. 10: 3129-39
Friedrich J, Yu H, Leverentz HR, et al. (2014) Water 26-mers Drawn from Bulk Simulations: Benchmark Binding Energies for Unprecedentedly Large Water Clusters and Assessment of the Electrostatically Embedded Three-Body and Pairwise Additive Approximations. The Journal of Physical Chemistry Letters. 5: 666-70
Wang B, Yang KR, Xu X, et al. (2014) Quantum mechanical fragment methods based on partitioning atoms or partitioning coordinates. Accounts of Chemical Research. 47: 2731-8
Friedrich J, Yu H, Leverentz HR, et al. (2014) Water 26-mers drawn from bulk simulations: Benchmark binding energies for unprecedentedly large water clusters and assessment of the electrostatically embedded three-body and pairwise additive approximations Journal of Physical Chemistry Letters. 5: 666-670
Fiedler L, Leverentz HR, Nachimuthu S, et al. (2014) Nitrogen and sulfur compounds in atmospheric aerosols: A new parametrization of polarized molecular orbital model chemistry and its validation against converged CCSD(T) calculations for large clusters Journal of Chemical Theory and Computation. 10: 3129-3139
Leverentz HR, Qi HW, Truhlar DG. (2013) Assessing the Accuracy of Density Functional and Semiempirical Wave Function Methods for Water Nanoparticles: Comparing Binding and Relative Energies of (H2O)16 and (H2O)17 to CCSD(T) Results. Journal of Chemical Theory and Computation. 9: 995-1006
Kurbanov EK, Leverentz HR, Truhlar DG, et al. (2013) Analysis of the Errors in the Electrostatically Embedded Many-Body Expansion of the Energy and the Correlation Energy for Zn and Cd Coordination Complexes with Five and Six Ligands and Use of the Analysis to Develop a Generally Successful Fragmentation Strategy. Journal of Chemical Theory and Computation. 9: 2617-2628
Isegawa M, Fiedler L, Leverentz HR, et al. (2013) Polarized Molecular Orbital Model Chemistry 3. The PMO Method Extended to Organic Chemistry. Journal of Chemical Theory and Computation. 9: 33-45
Qi HW, Leverentz HR, Truhlar DG. (2013) Water 16-mers and hexamers: assessment of the three-body and electrostatically embedded many-body approximations of the correlation energy or the nonlocal energy as ways to include cooperative effects. The Journal of Physical Chemistry. A. 117: 4486-99
Leverentz HR, Siepmann JI, Truhlar DG, et al. (2013) Energetics of atmospherically implicated clusters made of sulfuric acid, ammonia, and dimethyl amine. The Journal of Physical Chemistry. A. 117: 3819-25
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