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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg6-Apr-2022/redox_potentials/Single_Points HEH_SPLimburg, BartGaussian; 09; EM64L-G09RevD.01Single point StructureRPBEPBE6-311++G(D,P) GEN-861.7617961; Eh
thumbnail.jpeg6-Apr-2022/redox_potentials/Single_Points HEPyH_SPLimburg, BartGaussian; 09; EM64L-G09RevD.01Single point StructureRPBEPBE6-311++G(D,P) GEN-861.016386; Eh
thumbnail.jpeg6-Apr-2022/redox_potentials HEHLimburg, BartGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRPBEPBE6-31+G(D,P) GEN-861.564211557; Eh
thumbnail.jpeg6-Apr-2022/redox_potentials HEPyHLimburg, BartGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRPBEPBE6-31+G(D,P) GEN-860.820353168; Eh
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