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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg6-Dec-2023anion_triplet_point0Vlaisavljevich, BessMolcas; 23.02Single pointCASSCF; CASPT2ANO-RCC-
thumbnail.jpeg6-Dec-2023anion_triplet_point4Vlaisavljevich, BessMolcas; 23.02Single pointCASSCF; CASPT2ANO-RCC-
thumbnail.jpeg6-Dec-2023anion_quintet_point4Vlaisavljevich, BessMolcas; 23.02Single pointCASSCF; CASPT2ANO-RCC-
thumbnail.jpeg6-Dec-2023anion_quintet_point0Vlaisavljevich, BessMolcas; 23.02Single pointCASSCF; CASPT2ANO-RCC-
thumbnail.jpeg6-Dec-2023turboVlaisavljevich, BessTURBOMOLE; 7.3Geometry optimization MinimumU-DFTdef-TZVP; def2-TZVP-1026.337958590; Eh
thumbnail.jpeg6-Dec-2023pt2_9e13o_1QVlaisavljevich, BessMolcas; 23.02Single pointCASSCF; CASPT2ANO-RCC-
thumbnail.jpeg6-Dec-2023turboVlaisavljevich, BessTURBOMOLE; 7.3Geometry optimization MinimumU-DFTdef-TZVP; def2-TZVP-1261.994295974; Eh
thumbnail.jpeg6-Dec-2023turboVlaisavljevich, BessTURBOMOLE; 7.3Geometry optimization MinimumU-DFTdef-TZVP; def2-TZVP-908.5049108024; Eh
thumbnail.jpeg6-Dec-2023turboVlaisavljevich, BessTURBOMOLE; 7.3Geometry optimization MinimumU-DFTdef-TZVP; def2-TZVP-829.9372861487; Eh
thumbnail.jpeg6-Dec-2023pt2_9e13o_1QVlaisavljevich, BessMolcas; 23.02Single pointCASSCF; CASPT2ANO-RCC-
Results 21-30 of 146 (Search time: 0.001 seconds).