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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg20-Jul-2018/Cr2Fe/230 sewardSpivak, MarianoMolcas; 8.0Single point---
thumbnail.jpeg20-Jul-2018/Cr2Fe/Exp CASSCF_14_13_S=6Spivak, MarianoMolcas; 8.0Single pointCASSCF--
thumbnail.jpeg20-Jul-2018/Cr2Fe/230 CASSCF_14_13_S=2Spivak, MarianoMolcas; 8.0Single pointCASSCF--
thumbnail.jpeg20-Jul-2018/Cr2Fe/Exp CASSCF_14_13_S=2Spivak, MarianoMolcas; 8.0Single pointCASSCF--
thumbnail.jpeg20-Jul-2018/Cr2Fe/Exp sewardSpivak, MarianoMolcas; 8.0Single point---
thumbnail.jpeg20-Jul-2018/Cr2Mn/230 Geometry_optimizationSpivak, MarianoADF; 2013; 01Geometry optimizationDFTTZP; DZP-21.11248869; Eh
thumbnail.jpeg20-Jul-2018/Cr2Mn/Exp CASSCF_13_13Spivak, MarianoMolcas; 8.0Single pointCASSCF--
thumbnail.jpeg20-Jul-2018/dpa Cr2dpa4_2_30_8_testSpivak, MarianoMolcas; 8.0Single pointCASSCF--
thumbnail.jpeg20-Jul-2018/dpa Cr2dpa4_exp_sewSpivak, MarianoMolcas; 8.0Single point---
thumbnail.jpeg20-Jul-2018/Cr2Mn/Exp sewardSpivak, MarianoMolcas; 8.0Single point---
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