Electrochemical Proton Coupled Electron Transfer (PCET)
This author has yet to write their bio.Meanwhile lets just say that we are proud admin contributed a whooping 194 entries.
Entries by admin
191.S. Ghosh and S. Hammes-Schiffer, “Calculation of electrochemical reorganization energies for redox molecules at self-assembled monolayer modified electrodes,” J. Phys. Chem. Lett. 6, 1-5 (2015).
P. Hanoian, C. T. Liu, S. Hammes-Schiffer, and S. J. Benkovic, “Perspectives on electrostatics and conformational motions in enzyme catalysis,” Acc. Chem. Res. (submitted).
P. Goyal, C. A. Schwerdtfeger, A. V. Soudackov, and S. Hammes-Schiffer, “Nonadiabatic dynamics of photoinduced proton-coupled electron transfer in a solvated phenol-amine complex,” J. Am. Chem. Soc. DOI: 10.1021/jp5126969.
S. Zhang, A. Ganguly, P. Goyal, J. Bingamin, P. C. Bevilacqua, and S. Hammes-Schiffer, “Role of the active site guanine in the glmS ribozyme self-cleavage mechanism: Quantum mechanical/molecular mechanical free energy simulations,”J. Am. Chem. Soc. DOI: 10.1021/ja510387y.
186. B. H. Solis, A. G. Maher, T. Honda, D. C. Powers, D. G. Nocera, and S. Hammes-Schiffer, “Theoretical analysis of cobalt hangman prophyrins: Ligand dearomatization and mechanistic implications for hydrogen evolution,” ACS Catal. 4, 4516–4526 (2014).
185. C. T. Liu, K. Francis, J. Layfield, X. Huang, S. Hammes-Schiffer, A. Kohen, and S. J. Benkovic, “Escherichia coli dihydrofolate reductase catalyzed proton and hydride transfers: Temporal order and the roles of Asp27 and Tyr100,” Proc. Natl. Acad. Sci. USA (in press).
184. N. M. Tubman, I. Kylänpää, S. Hammes-Schiffer, and D. M. Ceperley, “Beyond the Born-Oppenheimer approximation with quantum Monte Carlo,” Phys. Rev. A 90, 042507 (2014).
183. D. K. Bediako, B. H. Solis, D. K. Dogutan, M. M. Roubelakis, A. G. Maher, C. H. Lee, M. B. Chambers, S. Hammes-Schiffer, and D. G. Nocera, “Role of pendant proton relays and proton-coupled electron transfer on the hydrogen evolution reaction by nickel hangman porphyrins,” Proc. Natl. Acad. Sci. USA 111, 15001-15006 (2014).
182. A. V. Soudackov and S. Hammes-Schiffer, “Probing nonadiabaticity in the proton-coupled electron transfer reaction catalyzed by soybean lipoxygenase,” J. Phys. Chem. Lett. 5, 3274-3278 (2014).
Swanlund Professor of Chemistry
Department of Chemistry
University of Illinois at Urbana-Champaign
A410 Chemical & Life Sciences Laboratory
600 South Mathews Avenue
Urbana, IL 61801-3364
Phone: (217) 300-0335
Fax: (217) 244-3186