Substituent effects on cobalt diglyoxime catalysts for hydrogen evolution
148. B. H. Solis and S. Hammes-Schiffer, “Substituent effects on cobalt diglyoxime catalysts for hydrogen evolution,” J. Am. Chem. Soc. 133, 19036-19039 (2011).
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148. B. H. Solis and S. Hammes-Schiffer, “Substituent effects on cobalt diglyoxime catalysts for hydrogen evolution,” J. Am. Chem. Soc. 133, 19036-19039 (2011).
147. A. V. Soudackov, A. Hazra, and S. Hammes-Schiffer, “Multidimensional treatment of stochastic solvent dynamics in photoinduced proton-coupled electron transfer processes: Sequential, concerted, and complex branching mechanisms,” J. Chem. Phys. 135, 144115 (2011).
146. B. H. Solis and S. Hammes-Schiffer, “Theoretical analysis of mechanistic pathways for hydrogen evolution catalyzed by cobaloximes,” Inorg. Chem. 50, 11252-11262 (2011).
145. A. Sirjoosingh, M. V. Pak, and S. Hammes-Schiffer, “Derivation of an electron-proton correlation functional for multicomponent density functional theory within the nuclear-electronic orbital approach,” J. Chem. Theory Comput. 7, 2689-2693 (2011).
144. A. Sirjoosingh and S. Hammes-Schiffer, “Diabatization schemes for generating charge-localized electron-proton vibronic states in proton-coupled electron transfer systems,” J. Chem. Theory Comput. 7, 2831-2841 (2011).
143. P. Hanoian, and S. Hammes-Schiffer, “Water in the active site of ketosteroid isomerase,” Biochemistry 50, 6689-6700 (2011).
142. C. Ko, M. V. Pak, C. Swalina, and S. Hammes-Schiffer, “Alternative wavefunction ansatz for including explicit electron-proton correlation in the nuclear-electronic orbital approach,” J. Chem. Phys. 135, 054106 (2011).
141. N. Veeraraghavan, A. Ganguly, B. L. Golden, P. C. Bevilacqua, and S. Hammes-Schiffer, “Mechanistic strategies in the HDV ribozyme: Chelated and diffuse metal ion interactions and active site protonation,” J. Phys.Chem. B 115, 8346-8357 (2011).
140. S. Hammes-Schiffer, “When electrons and protons get excited,” Proc. Natl. Acad. Sci. USA 108, 8531-8532 (2011).
139. B. Auer, L. E. Fernandez, and S. Hammes-Schiffer, “Theoretical analysis of proton relays in electrochemical proton-coupled electron transfer,” J. Am. Chem. Soc. 133, 8282-8292 (2011).
Sharon Hammes-Schiffer
Professor of Chemistry
Department of Chemistry
Frick Chemistry Laboratory
Princeton University
Princeton, New Jersey 08544
e-mail: shs566@princeton.edu