Erin E. Dahlke, Ph.D. - Publications

Affiliations: 
2007 University of Minnesota, Twin Cities, Minneapolis, MN 
Area:
Theoretical and Computational Chemistry

12 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
2008 Sorkin A, Dahlke EE, Truhlar DG. Application of the Electrostatically Embedded Many-Body Expansion to Microsolvation of Ammonia in Water Clusters. Journal of Chemical Theory and Computation. 4: 683-8. PMID 26621082 DOI: 10.1021/ct7003462  1
2008 Dahlke EE, Leverentz HR, Truhlar DG. 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. PMID 26619977 DOI: 10.1021/ct700183y  1
2008 Dahlke EE, Truhlar DG. Electrostatically Embedded Many-Body Expansion for Simulations. Journal of Chemical Theory and Computation. 4: 1-6. PMID 26619974 DOI: 10.1021/ct700223r  1
2008 Brauer CS, Sedo G, Dahlke E, Wu S, Grumstrup EM, Leopold KR, Marshall MD, Leung HO, Truhlar DG. 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. PMID 19044910 DOI: 10.1063/1.2973638  1
2008 Dahlke EE, Olson RM, Leverentz HR, Truhlar DG. 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. PMID 18393474 DOI: 10.1021/jp077376k  1
2008 Dahlke EE, Orthmeyer MA, Truhlar DG. 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. PMID 18247594 DOI: 10.1021/jp075823q  1
2008 Dahlke EE, Leverentz HR, Truhlar DG. 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. DOI: 10.1021/ct700183y  1
2007 Dahlke EE, Truhlar DG. 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. PMID 26633207 DOI: 10.1021/ct700057x  1
2007 Dahlke EE, Truhlar DG. Electrostatically Embedded Many-Body Expansion for Large Systems, with Applications to Water Clusters. Journal of Chemical Theory and Computation. 3: 46-53. PMID 26627150 DOI: 10.1021/ct600253j  1
2006 Dahlke EE, Truhlar DG. Assessment of the pairwise additive approximation and evaluation of many-body terms for water clusters. The Journal of Physical Chemistry. B. 110: 10595-601. PMID 16771303 DOI: 10.1021/jp061039e  1
2005 Dahlke EE, Truhlar DG. Improved density functionals for water. The Journal of Physical Chemistry. B. 109: 15677-83. PMID 16852988 DOI: 10.1002/chin.200548001  1
2003 Dahlke EE, Cramer CJ. Prediction of tautomeric preferences and pKa values for oxyluciferin and its constituent heterocycles Journal of Physical Organic Chemistry. 16: 336-347. DOI: 10.1002/poc.634  0.92
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