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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg31-May-2022/Catalytic_cycle/ZnZn Int3_ZnZnWelington de Lima, LucasOrca; 4.2.1; RELEASEGeometry optimization MinimumDFTdef2-SVP-5808.34636559; Eh
thumbnail.jpeg31-May-2022/Catalytic_cycle/MgMg TS1_MgMg_spWelington de Lima, LucasOrca; 4.2.1; RELEASESingle pointDFTdef2-TZVP-2463.32152655; Eh
thumbnail.jpeg31-May-2022/Catalytic_cycle/ZnMg Int6b_ZnMg_spWelington de Lima, LucasOrca; 4.2.1; RELEASESingle pointDFTdef2-TZVP-4231.52476086; Eh
thumbnail.jpeg31-May-2022/Catalytic_cycle/MgMg Int1_MgMg_spWelington de Lima, LucasOrca; 4.2.1; RELEASESingle pointDFTdef2-TZVP-2463.34638425; Eh
thumbnail.jpeg31-May-2022/Catalytic_cycle/MgMg Int4_MgMgWelington de Lima, LucasOrca; 4.2.1; RELEASEGeometry optimization MinimumDFTdef2-SVP-2649.75169298; Eh
thumbnail.jpeg31-May-2022/Catalytic_cycle/MgMg Int4_MgMg_spWelington de Lima, LucasOrca; 4.2.1; RELEASESingle pointDFTdef2-TZVP-2652.03739318; Eh
thumbnail.jpeg31-May-2022/Catalytic_cycle/ZnZn Int2_ZnZn_spWelington de Lima, LucasOrca; 4.2.1; RELEASESingle pointDFTdef2-TZVP-5622.30075439; Eh
thumbnail.jpeg31-May-2022/Catalytic_cycle/MgMg Int1_MgMgWelington de Lima, LucasOrca; 4.2.1; RELEASEGeometry optimization MinimumDFTdef2-SVP-2461.28204312; Eh
thumbnail.jpeg31-May-2022/Catalytic_cycle/MgMg Int2_MgMg_spWelington de Lima, LucasOrca; 4.2.1; RELEASESingle pointDFTdef2-TZVP-2463.34492859; Eh
thumbnail.jpeg31-May-2022/Catalytic_cycle/MgZn Int1_MgZnWelington de Lima, LucasOrca; 4.2.1; RELEASEGeometry optimization MinimumDFTdef2-SVP-4040.59251718; Eh
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