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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg29-Mar-2023frq_CN_Os_monomer_DMF_1_0Martins, FredericoADF; 2019; 304Single pointS12g-x PBEcTZ2P-
thumbnail.jpeg29-Mar-2023/rhredox frq_Rh_monomer_DMF_0_3Martins, FredericoADF; 2019; 304Single pointS12g-x PBEcTZ2P-
thumbnail.jpeg29-Mar-2023/uv uv_ncp_2dep_DMFMartins, FredericoADF; 2019; 304Single pointS12g-x PBEcTZ2P-
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