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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg6-Apr-2023/fia bOTf3Martins, FredericoOrca; 5.0.2; RELEASEGeometry optimizationDFTdef2-TZVP-2910.37906274; Eh
thumbnail.jpeg6-Apr-2023/fia bch33Martins, FredericoOrca; 5.0.2; RELEASEGeometry optimizationDFTdef2-TZVP-144.64497051; Eh
thumbnail.jpeg6-Apr-2023/transeff frq_opt_F_bOTf3_mo_-1_1Martins, FredericoOrca; 5.0.2; RELEASESingle point MinimumDFTdef2-TZVP-5800.48092601; Eh
thumbnail.jpeg6-Apr-2023/transeff frq_opt_F_bPh3_re_0_1Martins, FredericoOrca; 5.0.2; RELEASESingle point MinimumDFTdef2-TZVP-3620.09724183; Eh
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