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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg31-May-2022/Catalytic_cycle/ZnMg TS3a_ZnMg_spWelington de Lima, LucasOrca; 4.2.1; RELEASESingle pointDFTdef2-TZVP-4541.47195018; Eh
thumbnail.jpeg31-May-2022/Catalytic_cycle/ZnMg TS3b_ZnMg_spWelington de Lima, LucasOrca; 4.2.1; RELEASESingle pointDFTdef2-TZVP-4231.48244169; Eh
thumbnail.jpeg31-May-2022/Catalytic_cycle/ZnZn TS1_ZnZn_spWelington de Lima, LucasOrca; 4.2.1; RELEASESingle pointDFTdef2-TZVP-5622.27703803; Eh
thumbnail.jpeg31-May-2022/Catalytic_cycle/ZnZn Int4_ZnZn_spWelington de Lima, LucasOrca; 4.2.1; RELEASESingle pointDFTdef2-TZVP-5811.00506309; Eh
thumbnail.jpeg31-May-2022/Catalytic_cycle/MgZn Int4_MgZn_spWelington de Lima, LucasOrca; 4.2.1; RELEASESingle pointDFTdef2-TZVP-4231.51537595; Eh
thumbnail.jpeg31-May-2022/Catalytic_cycle/MgZn TS1_MgZn_spWelington de Lima, LucasOrca; 4.2.1; RELEASESingle pointDFTdef2-TZVP-4042.80289148; Eh
thumbnail.jpeg31-May-2022/Catalytic_cycle/ZnMg Int6a_ZnMg_spWelington de Lima, LucasOrca; 4.2.1; RELEASESingle pointDFTdef2-TZVP-4541.49363711; Eh
thumbnail.jpeg31-May-2022/Catalytic_cycle/ZnMg TS2_ZnMg_spWelington de Lima, LucasOrca; 4.2.1; RELEASESingle pointDFTdef2-TZVP-4231.50569074; Eh
thumbnail.jpeg31-May-2022/Catalytic_cycle/ZnMg Int1_ZnMg_spWelington de Lima, LucasOrca; 4.2.1; RELEASESingle pointDFTdef2-TZVP-4042.82538969; Eh
thumbnail.jpeg31-May-2022/Catalytic_cycle/ZnMg cis-CHC_spWelington de Lima, LucasOrca; 4.2.1; RELEASESingle pointDFTdef2-TZVP-498.67612053; Eh
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