Erin Speetzen

Associate Professor of Chemistry

Education

Select Publications

Speetzen, E. D.; Leverentz, H. R.; Lin, H.; Truhlar, D. G. “Electrostatically Embedded Many Body Expansion for Large Systems” Accurate Condensed-Phase Quantum Chemistry.  In Accurate Condensed-Phase Quantum Chemistry; Editor, F. Manby; Computation in Chemistry; CRC Press:  New York, publication date:  July 15, 2010.

Brauer, C. S.; Sedo, G.; Dahlke, E.; Wu, S.; Grumstrup, E.; Leopold, K. R.; Marshall, M. D.; Leung, H. O.; Truhlar, D. G. “Effects of 18O Isotopic Substitution on the Rotational Spectra and Potential Splitting in the OH–H2O Complex: Improved Measurement for 16OH – 16OH2 and 18OH – 18OH2, New Measurements for the Mixed Isotopic Forms, and Ab Initio Calculations of the 2A' – 2A'' Energy Separation,” J. Chem. Phys., 2008, 129, 104304.

Sorkin, A.; Dahlke, E. E.; Truhlar, D. G. “Application of the Electrostatically Embedded Many Body Expansion to Microsolvation of Ammonia in Water Clusters,” J. Chem. Theory and Comput., 2008, 4, 683.

Dahlke, E. E.; Truhlar, D. G. “Electrostatically Embedded Many-Body Expansion for Simulations,” J. Chem. Theory and Comput., 2008, 4, 1.

Dahlke, E. E.; Leverentz, H. R.; Truhlar, D. G. “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,” J. Chem. Theory and Comput., 2008, 4, 33.

Dahlke, E. E.; Olson, R. M.; Leverentz, H. R.; Truhlar, D. G. “Assessment of the Accuracy of Density Functionals for Prediction of Relative Energies and Geometries of Low-Lying Isomers of Water Hexamers,” J. Chem. Phys. A, 2008, 112, 3976.

Dahlke, E. E.; Orthmeyer, M. A.; Truhlar, D. G. “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),” J. Phys. Chem. B, 2008, 112, 2372.

Fellowships, Honors & Awards

2007 Overend Award for Graduate Research in Physical Chemistry

2006 Stanwood Johnston Fellowship

2006 Robert L. Ferm Outstanding Graduate Teaching Assistant

2004 Wertz Fellowship 2003 Graduate School Fellowship

2003 Proctor and Gamble Fellowship