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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg10-Apr-2024explsolv_alc6f5Martins, FredericoOrca; 5.0.4; RELEASEGeometry optimizationDFTdef2-TZVP-2698.53617358; Eh
thumbnail.jpeg10-Apr-2024explsolv_bc6f5Martins, FredericoOrca; 5.0.4; RELEASEGeometry optimizationDFTdef2-TZVP-2480.78339420; Eh
thumbnail.jpeg10-Apr-2024/NNLA_PES ltang_es_w_alMartins, FredericoOrca; 5.0.4; RELEASEGeometry optimizationDFTdef2-TZVP-5142.01070964; Eh
thumbnail.jpeg10-Apr-2024frq_wMartins, FredericoOrca; 5.0.4; RELEASESingle point MinimumDFTdef2-TZVP-2443.43902381; Eh
Results 191-194 of 194 (Search time: 0.001 seconds).