proton-coupled electron transfer

Theoretical study of shallow distance dependence of proton-coupled electron transfer in oligoproline metallopeptides

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281. P. Li, A. V. Soudackov, B. Koronkiewicz, J. M. Mayer, and S. Hammes-Schiffer, “Theoretical study of shallow distance dependence of proton-coupled electron transfer in oligoproline metallopeptides,” J. Am. Chem. Soc. 142, 13795-13804 (2020).

Proton-coupled electron transfer from tyrosine in the interior of a de novoprotein: Mechanisms and primary proton acceptor

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278. A. Nilsen-Moe, C. R. Reinhardt, S. D. Glover, L. Liang, S. Hammes-Schiffer, L. Hammarström, and C. Tommos, “Proton-coupled electron transfer from tyrosine in the interior of a de novoprotein: Mechanisms and primary proton acceptor,” J. Am. Chem. Soc. 142, 11550-11559 (2020).

Strategies for enhancing the rate constant of C—H bond cleavage by concerted proton-coupled electron transfer

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263. E. Sayfutyarova, Y. C. Lam, and S. Hammes-Schiffer, “Strategies for enhancing the rate constant of C—H bond cleavage by concerted proton-coupled electron transfer,” J. Am. Chem. Soc. 141, 15183-15189 (2019).

Proton-coupled electron transfer drives long-range proton translocation in bioinspired systems

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261.E. Odella, B. L. Wadsworth, S. J. Mora, J. J. Goings, M. T. Huynh, D. Gust, T. A. Moore, G. F. Moore, S. Hammes-Schiffer, and A. L. Moore, “Proton-coupled electron transfer drives long-range proton translocation in bioinspired systems,” J. Am. Chem. Soc. 141, 14057-14061 (2019).

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).