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  • Accurate Prediction of Frontier Molecular Orbital Energies and Redox-Potentials by Means of Omega-Tuned density Functionals and Molecular Referencing

Accurate Prediction of Frontier Molecular Orbital Energies and Redox-Potentials by Means of Omega-Tuned density Functionals and Molecular Referencing

in: Journal of Computational Chemistry (2020)
Sachse, Torsten; Dietzek, Benjamin; Martínez, Todd J.; Presselt, Martin
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