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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg20-Jul-2018/Cr2Zn/230 Geometry_OptizationSpivak, MarianoADF; 2013; 01Geometry optimizationDFTTZP; DZP-20.83346606; Eh
thumbnail.jpeg20-Jul-2018/Cr2Ni/Exp CASSCF_10_10_S=1Spivak, MarianoMolcas; 8.0Single pointCASSCF--
thumbnail.jpeg20-Jul-2018/Cr2Zn/Exp CASSCF_S=4Spivak, MarianoMolcas; 8.0Single pointCASSCF--
thumbnail.jpeg20-Jul-2018/Cr2Zn/Exp CASSCF_S=0Spivak, MarianoMolcas; 8.0Single pointCASSCF--
thumbnail.jpeg20-Jul-2018/Cr2Zn/Exp sewardSpivak, MarianoMolcas; 8.0Single point---
thumbnail.jpeg20-Jul-2018/Cr2Fe/230 Geometry_optimizationSpivak, MarianoADF; 2013; 01Geometry optimizationDFTTZP; DZP-21.08508090; Eh
thumbnail.jpeg20-Jul-2018/Cr2Ni/230 Geometry_optimizationSpivak, MarianoADF; 2013; 01Geometry optimizationDFTTZP; DZP-20.96003827; Eh
thumbnail.jpeg20-Jul-2018/Cr2Fe/Exp CASSCF_14_13_S=6Spivak, MarianoMolcas; 8.0Single pointCASSCF--
thumbnail.jpeg20-Jul-2018/Cr2Fe/Exp CASSCF_14_13_S=2Spivak, MarianoMolcas; 8.0Single pointCASSCF--
thumbnail.jpeg20-Jul-2018/Cr2Fe/230 CASSCF_14_13_S=2Spivak, MarianoMolcas; 8.0Single pointCASSCF--
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