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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg10-Apr-2024/NNLA_PES opt_148_w_alMartins, FredericoOrca; 5.0.4; RELEASEGeometry optimizationDFTdef2-TZVP-5141.94494098; Eh
thumbnail.jpeg10-Apr-2024/NNLA_PES ltang_es_w_alMartins, FredericoOrca; 5.0.4; RELEASEGeometry optimizationDFTdef2-TZVP-5142.01070964; Eh
thumbnail.jpeg10-Apr-2024/1_1 frq_explsolv_opt_w_bMartins, FredericoOrca; 5.0.4; RELEASESingle point MinimumDFTdef2-TZVP-4924.34553978; Eh
thumbnail.jpeg10-Apr-2024/NNLA_PES ltang_sp172_w_bMartins, FredericoOrca; 5.0.4; RELEASESingle pointDFTdef2-TZVP-4924.34551513; Eh
thumbnail.jpeg10-Apr-2024/1_1 explsolv_opt_w_alMartins, FredericoOrca; 5.0.4; RELEASEGeometry optimizationDFTdef2-TZVP-5141.97216357; Eh
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
Results 11-18 of 18 (Search time: 0.001 seconds).