proton-coupled electron transfer

Electron-coupled double proton transfer in the Slr1694 BLUF photoreceptor: A multireference electronic structure study

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247. E. R. Sayfutyarova, J. J. Goings, and S. Hammes-Schiffer, “Electron-coupled double proton transfer in the Slr1694 BLUF photoreceptor: A multireference electronic structure study,” J. Phys. Chem. B 123, 439-447 (2019).

Impact of mutations on the binding pocket of soybean lipoxygenase: Implications for proton-coupled electron transfer

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244. P. Li, A. V. Soudackov, and S. Hammes-Schiffer, “Impact of mutations on the binding pocket of soybean lipoxygenase: Implications for proton-coupled electron transfer,” J. Phys. Chem. Lett. 9, 6444-6449 (2018).

Controlling proton-coupled electron transfer in bio-inspired artificial photosynthetic relays

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243. E. Odella, S. J. Mora, B. L. Wadsworth, M. T. Huynh, J. J. Goings, P. A. Liddell, T. L. Groy, M. Gervaldo, L. E. Sereno, D. Gust, T. A. Moore, G. F. Moore, S. Hammes-Schiffer, and A. L. Moore, “Controlling proton-coupled electron transfer in bio-inspired artificial photosynthetic relays,” J. Am. Chem. Soc. 140, 15450-15460 (2018). 

Fundamental insights into proton-coupled electron transfer in soybean lipoxygenase from quantum mechanical/molecular mechanical free energy simulations

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235. P. Li, A. V. Soudackov, and S. Hammes-Schiffer, “Fundamental insights into proton-coupled electron transfer in soybean lipoxygenase from quantum mechanical/molecular mechanical free energy simulations,” J. Am. Chem. Soc. 140, 3068-3076 (2018).

Role of proton diffusion in the kinetics of proton-coupled electron transfer from photoreduced ZnO nanocrystals

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234. S. Ghosh, A. V. Soudackov, and S. Hammes-Schiffer, “Role of proton diffusion in the kinetics of proton-coupled electron transfer from photoreduced ZnO nanocrystals,” ACS Nano. 11, 10295-10302 (2017).

Theoretical insights into proton-coupled electron transfer from a photoreduced ZnO nanocrystal to an organic radical

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233. S. Ghosh, J. Castillo-Lora, A. V. Soudackov, J. M. Mayer, and S. Hammes-Schiffer, “Theoretical insights into proton-coupled electron transfer from a photoreduced ZnO nanocrystal to an organic radical,” Nano. Lett. 17, 5762-5767 (2017).

Interplay between terminal and bridging diiron hydrides in neutral and oxidized states

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230. X. Yu, C.-H Tung, W. Wang, M. T. Huynh, D. L. Gray, S. Hammes-Schiffer, and T. B. Rauchfuss, “Interplay between terminal and bridging diiron hydrides in neutral and oxidized states,” Organometallics 36, 2245-2253 (2017).

Concerted one-electron two-proton transfer processes in models inspired by the Tyr-His couple of photosystem II

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229. M.T. Huynh, S. J. Mora, M. Villalba, M.E. Tejeda-Ferrari, P. A. Liddell, B. R. Cherry, A.-L. Teillout, C. W. Machan, C. P. Kubiak, D. Gust, T. A. Moore, S. Hammes-Schiffer, and A. L. Moore, “Concerted one-electron two-proton transfer processes in models inspired by the Tyr-His couple of photosystem II,” ACS Cent. Sci. 3, 372-380 (2017).

Enhanced rigidification within a double mutant of soybean lipoxygenase provides experimental support for vibronically nonadiabatic proton-coupled electron transfer models

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226. S. Hu, A. V. Soudackov, S. Hammes-Schiffer, and J. P. Klinman, “Enhanced rigidification within a double mutant of soybean lipoxygenase provides experimental support for vibronically nonadiabatic proton-coupled electron transfer models,” ACS Catal. 7, 3569-3574 (2017).