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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg12-Dec-2016/Zn2Al12 Al12Zn2Bandeira, NunoADF; 2013; 01Geometry optimizationDFTTZP-20.64036361; Eh
thumbnail.jpeg12-Dec-2016/ZnAl12 ZnAl12Bandeira, NunoADF; 2013; 01Geometry optimizationDFTTZP-19.34891592; Eh
thumbnail.jpeg12-Dec-2016/Al6Cr6_models/Cr2_3_1 Cr2_3_1bBandeira, NunoADF; 2013; 01Geometry optimizationDFTTZP-21.33755011; Eh
thumbnail.jpeg12-Dec-2016/Al6Cr6_models/Cr1_0_5 Cr1_0_5Bandeira, NunoADF; 2013; 01Geometry optimizationDFTTZP-21.31988896; Eh
thumbnail.jpeg12-Dec-2016/Al6Cr6_models/Cr1_1_4 Cr1_1_4Bandeira, NunoADF; 2013; 01Geometry optimizationDFTTZP-21.32353328; Eh
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