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Erin E. Dahlke, Ph.D.

Affiliations: 
2007 University of Minnesota, Twin Cities, Minneapolis, MN 
Area:
Theoretical and Computational Chemistry
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"Erin Dahlke"
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Donald G. Truhlar grad student 2007 UMN
 (Improved methods for the modeling of water and ice: I. Development and assessment of density functional methods. II. Development and application of the electrostatically embedded many-body expansion.)

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Publications

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Sorkin A, Dahlke EE, Truhlar DG. (2008) Application of the Electrostatically Embedded Many-Body Expansion to Microsolvation of Ammonia in Water Clusters. Journal of Chemical Theory and Computation. 4: 683-8
Dahlke EE, Leverentz HR, Truhlar DG. (2008) Evaluation of the Electrostatically Embedded Many-Body Expansion and the Electrostatically Embedded Many-Body Expansion of the Correlation Energy by Application to Low-Lying Water Hexamers. Journal of Chemical Theory and Computation. 4: 33-41
Dahlke EE, Truhlar DG. (2008) Electrostatically Embedded Many-Body Expansion for Simulations. Journal of Chemical Theory and Computation. 4: 1-6
Brauer CS, Sedo G, Dahlke E, et al. (2008) Effects of (18)O isotopic substitution on the rotational spectra and potential splitting in the OH-OH2 complex: improved measurements for (16)OH-(16)OH2 and (18)OH-(18)OH2, new measurements for the mixed isotopic forms, and ab initio calculations of the (2)A'-(2)A" energy separation. The Journal of Chemical Physics. 129: 104304
Dahlke EE, Olson RM, Leverentz HR, et al. (2008) Assessment of the accuracy of density functionals for prediction of relative energies and geometries of low-lying isomers of water hexamers. The Journal of Physical Chemistry. A. 112: 3976-84
Dahlke EE, Orthmeyer MA, Truhlar DG. (2008) Assessment of multicoefficient correlation methods, second-order Møller-Plesset perturbation theory, and density functional theory for H3O(+)(H2O)n (n = 1-5) and OH(-)(H2O)n (n = 1-4). The Journal of Physical Chemistry. B. 112: 2372-81
Dahlke EE, Leverentz HR, Truhlar DG. (2008) Evaluation of the electrostatically embedded many-body expansion and the electrostatically embedded many-body expansion of the correlation energy by application to low-lying water hexamers Journal of Chemical Theory and Computation. 4: 33-41
Dahlke EE, Truhlar DG. (2007) Electrostatically Embedded Many-Body Correlation Energy, with Applications to the Calculation of Accurate Second-Order Møller-Plesset Perturbation Theory Energies for Large Water Clusters. Journal of Chemical Theory and Computation. 3: 1342-8
Dahlke EE, Truhlar DG. (2007) Electrostatically Embedded Many-Body Expansion for Large Systems, with Applications to Water Clusters. Journal of Chemical Theory and Computation. 3: 46-53
Dahlke EE, Truhlar DG. (2006) Assessment of the pairwise additive approximation and evaluation of many-body terms for water clusters. The Journal of Physical Chemistry. B. 110: 10595-601
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