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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
thumbnail.jpeg6-Apr-2023/fia frq_Fbf3_-1_1Martins, FredericoOrca; 5.0.2; RELEASESingle point MinimumDFTdef2-TZVP-424.80690519; Eh
thumbnail.jpeg6-Apr-2023/fia frq_sime3F_0_1Martins, FredericoOrca; 5.0.2; RELEASESingle point MinimumDFTdef2-TZVP-509.30932841; Eh
thumbnail.jpeg6-Apr-2023/fia frq_bf3Martins, FredericoOrca; 5.0.2; RELEASESingle point MinimumDFTdef2-TZVP-324.70469107; Eh
thumbnail.jpeg6-Apr-2023/fia frq_FbOTf3_-1_1Martins, FredericoOrca; 5.0.2; RELEASESingle point MinimumDFTdef2-TZVP-3010.53554519; Eh
thumbnail.jpeg6-Apr-2023/fia frq_Fbch33_-1_1Martins, FredericoOrca; 5.0.2; RELEASESingle point MinimumDFTdef2-TZVP-244.70685141; Eh
thumbnail.jpeg6-Apr-2023/fia frq_sime3_1_1Martins, FredericoOrca; 5.0.2; RELEASESingle point MinimumDFTdef2-TZVP-409.13799069; Eh
thumbnail.jpeg6-Apr-2023/fia frq_Fbsh3_-1_1Martins, FredericoOrca; 5.0.2; RELEASESingle point MinimumDFTdef2-TZVP-1321.57128236; Eh
Results 171-180 of 194 (Search time: 0.001 seconds).