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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg10-Apr-2024/NNLA_PES ltang_es_w_bMartins, FredericoOrca; 5.0.4; RELEASEGeometry optimizationDFTdef2-TZVP-4924.34955252; Eh
thumbnail.jpeg10-Apr-2024/1_1 es_opt148_w_bMartins, FredericoOrca; 5.0.4; RELEASEGeometry optimizationDFTdef2-TZVP-4924.23635760; Eh
thumbnail.jpeg10-Apr-2024frq_wMartins, FredericoOrca; 5.0.4; RELEASESingle point MinimumDFTdef2-TZVP-2443.43902381; Eh
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