Welcome to the Zimmerman Research Group webpage. Our group specializes in the development and application of first principles methods to solar and catalysis challenges. Please see the above links for specific descriptions of our ongoing work. Also feel free to contact Dr. Zimmerman at paulzim.at.umich.edu with any questions.
1. P. M Zimmerman, “Incremental full configuration interaction”, The Journal of Chemical Physics, 146, 104102 (2017), DOI: 10.1063/1.4977727
2. I. M. Pendleton, M. H. Pérez-Temprano, M. S. Sanford,* P. M. Zimmerman,* “Experimental and Computational Assessment of Reactivity and Mechanism in C(sp3)−N Bond-Forming Reductive Elimination from Palladium(IV),” Journal of the American Chemical Society, published online, DOI: 10.1021/jacs.6b02714
3. J. R. Ludwig, P. M. Zimmerman, J. B. Gianino, C. S. Schindler,* “Iron(III)-Catalyzed Carbonyl-Olefin Metathesis,” Nature, published online: doi:10.1038/nature17432.
4. B. R. Ellington, B. Paul, A. K. Vitek, D. Das, P. M. Zimmerman, E. N. G. Marsh,* “A Novel Iron-dependent Oxidative Deformylation Reaction Providing Insight into Hydrocarbon Biosynthesis in Nature,” ACS Catalysis, DOI: 10.1021/acscatal.6b00592.
5. A. R. Molina, P. Smereka, P. M. Zimmerman,* “Exploring the Relationship Between Vibrational Mode Locality and Coupling with Constrained Optimization,” Journal of Chemical Physics, 144, 124111 (2016).
6. P. M. Zimmerman,* P. Smereka, “Optimizing Vibrational Coordinates to Modulate Intermode Coupling,” Journal of Chemical Theory and Computation, 12, 1883-1891 (2016).