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PreviewTitleAuthor(s)ProgramMethod(s)Basis SetEnergySolv.Vibr.
thumbnail.jpeg/Catalytic_cycle/MgMg cat_MgMgWelington de Lima, LucasOrca; 4.2.1; RELEASEDFTdef2-SVP-2151.65063643; Eh
thumbnail.jpeg/Catalytic_cycle/MgMg cat_MgMg_spWelington de Lima, LucasOrca; 4.2.1; RELEASEDFTdef2-TZVP-2153.36556796; Eh
thumbnail.jpeg/Catalytic_cycle/MgMg Int1_MgMgWelington de Lima, LucasOrca; 4.2.1; RELEASEDFTdef2-SVP-2461.28204312; Eh
thumbnail.jpeg/Catalytic_cycle/MgMg Int1_MgMg_spWelington de Lima, LucasOrca; 4.2.1; RELEASEDFTdef2-TZVP-2463.34638425; Eh
thumbnail.jpeg/Catalytic_cycle/MgMg Int2_MgMgWelington de Lima, LucasOrca; 4.2.1; RELEASEDFTdef2-SVP-2461.28221524; Eh
thumbnail.jpeg/Catalytic_cycle/MgMg Int2_MgMg_spWelington de Lima, LucasOrca; 4.2.1; RELEASEDFTdef2-TZVP-2463.34492859; Eh
thumbnail.jpeg/Catalytic_cycle/MgMg Int3_MgMg_spWelington de Lima, LucasOrca; 4.2.1; RELEASEDFTdef2-TZVP-2652.01997559; Eh
thumbnail.jpeg/Catalytic_cycle/MgMg Int3_MgMgWelington de Lima, LucasOrca; 4.2.1; RELEASEDFTdef2-SVP-2649.75482913; Eh
thumbnail.jpeg/Catalytic_cycle/MgMg Int4_MgMgWelington de Lima, LucasOrca; 4.2.1; RELEASEDFTdef2-SVP-2649.75169298; Eh
thumbnail.jpeg/Catalytic_cycle/MgMg Int4_MgMg_spWelington de Lima, LucasOrca; 4.2.1; RELEASEDFTdef2-TZVP-2652.03739318; Eh
thumbnail.jpeg/Catalytic_cycle/MgMg TS1_MgMg_spWelington de Lima, LucasOrca; 4.2.1; RELEASEDFTdef2-TZVP-2463.32152655; Eh
thumbnail.jpeg/Catalytic_cycle/MgMg TS1_MgMgWelington de Lima, LucasOrca; 4.2.1; RELEASEDFTdef2-SVP-2461.27111608; Eh
thumbnail.jpeg/Catalytic_cycle/MgMg TS2_MgMgWelington de Lima, LucasOrca; 4.2.1; RELEASEDFTdef2-SVP-2649.74842584; Eh
thumbnail.jpeg/Catalytic_cycle/MgMg TS2_MgMg_spWelington de Lima, LucasOrca; 4.2.1; RELEASEDFTdef2-TZVP-2652.01563016; Eh
thumbnail.jpeg/Catalytic_cycle/MgZn Int1_MgZnWelington de Lima, LucasOrca; 4.2.1; RELEASEDFTdef2-SVP-4040.59251718; Eh
thumbnail.jpeg/Catalytic_cycle/MgZn Int1_MgZn_spWelington de Lima, LucasOrca; 4.2.1; RELEASEDFTdef2-TZVP-4042.82701223; Eh
thumbnail.jpeg/Catalytic_cycle/MgZn Int2_MgZnWelington de Lima, LucasOrca; 4.2.1; RELEASEDFTdef2-SVP-4040.58075649; Eh
thumbnail.jpeg/Catalytic_cycle/MgZn Int2_MgZn_spWelington de Lima, LucasOrca; 4.2.1; RELEASEDFTdef2-TZVP-4042.82429355; Eh
thumbnail.jpeg/Catalytic_cycle/MgZn Int3_MgZnWelington de Lima, LucasOrca; 4.2.1; RELEASEDFTdef2-SVP-4229.04353658; Eh
thumbnail.jpeg/Catalytic_cycle/MgZn Int3_MgZn_spWelington de Lima, LucasOrca; 4.2.1; RELEASEDFTdef2-TZVP-4231.50082229; Eh
thumbnail.jpeg/Catalytic_cycle/MgZn Int4_MgZnWelington de Lima, LucasOrca; 4.2.1; RELEASEDFTdef2-SVP-4229.04447130; Eh
thumbnail.jpeg/Catalytic_cycle/MgZn Int4_MgZn_spWelington de Lima, LucasOrca; 4.2.1; RELEASEDFTdef2-TZVP-4231.51537595; Eh
thumbnail.jpeg/Catalytic_cycle/MgZn TS1_MgZn_spWelington de Lima, LucasOrca; 4.2.1; RELEASEDFTdef2-TZVP-4042.80289148; Eh
thumbnail.jpeg/Catalytic_cycle/MgZn TS1_MgZnWelington de Lima, LucasOrca; 4.2.1; RELEASEDFTdef2-SVP-4040.56687319; Eh
thumbnail.jpeg/Catalytic_cycle/MgZn TS2_MgZnWelington de Lima, LucasOrca; 4.2.1; RELEASEDFTdef2-SVP-4229.04053480; Eh
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