Published in
Royal Society of Chemistry, Physical Chemistry Chemical Physics, 20(23), p. 11727-11737, 2021
DOI: 10.1039/d1cp00499a
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From absolute potentials to a generalized computational standard hydrogen electrode for aqueous and non-aqueous solvents
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Abstract
A protocol to compute proton stabilities in non-aqueous solvents is presented and the absolute potentials in 36 solvents are predicted.