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July 6, 2024Journal of Chemical Theory and ComputationOpen Access

First and Second Reductions in an Aprotic Solvent: Comparing Computational and Experimental One-Electron Reduction Potentials for 345 Quinones

Sarah Elhajj Samer Gozem

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Abstract

Using reference reduction potentials of quinones recently measured relative to the saturated calomel electrode (SCE) in N,N-dimethylformamide (DMF), we benchmark absolute one-electron reduction potentials computed for 345 Q/Q

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Elhajj et al. (2024) studied this question.

synapsesocial.com/papers/68e6129eb6db6435875a5986 https://doi.org/10.1021/acs.jctc.4c00602

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