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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg20-Sep-2021S0_5Borowski, TomaszGaussian; 16; ES64L-G16RevA.03Single point StructureRwB97XDDEF2TZVP-937.113136741; Eh
thumbnail.jpeg20-Sep-2021S0_5aBorowski, TomaszGaussian; 16; ES64L-G16RevA.03Single point StructureRwB97XDDEF2TZVP-
thumbnail.jpeg20-Sep-2021S0_TS_NHBorowski, TomaszGaussian; 16; ES64L-G16RevB.01Single point StructureUwB97XDDEF2TZVP-
thumbnail.jpeg20-Sep-2021S0_TS_PTBorowski, TomaszGaussian; 16; ES64L-G16RevA.03Single point StructureRwB97XDDEF2TZVP-
thumbnail.jpeg20-Sep-2021S1-T1_MECP2_ABorowski, TomaszGaussian; 16; ES64L-G16RevA.03Single point StructureRwB97XD; TD-FCDEF2TZVP-937.064354316; Eh
thumbnail.jpeg20-Sep-2021S1-T1_MECP2_BBorowski, TomaszGaussian; 16; ES64L-G16RevA.03Single point StructureUwB97XDDEF2TZVP-936.986097168; Eh
thumbnail.jpeg20-Sep-2021S1-T2_MECP1_ABorowski, TomaszGaussian; 16; ES64L-G16RevA.03Single point StructureRwB97XD; TD-FCDEF2TZVP-937.092347740; Eh
thumbnail.jpeg20-Sep-2021S1-T2_MECP1_BBorowski, TomaszGaussian; 16; ES64L-G16RevA.03Single point StructureRwB97XD; TD-FCDEF2TZVP-937.092347740; Eh
thumbnail.jpeg20-Sep-2021S1-T2_MECP2_ABorowski, TomaszGaussian; 16; ES64L-G16RevA.03Single point StructureRwB97XD; TD-FCDEF2TZVP-937.088744803; Eh
thumbnail.jpeg20-Sep-2021S1-T2_MECP2_BBorowski, TomaszGaussian; 16; ES64L-G16RevA.03Single point StructureRwB97XD; TD-FCDEF2TZVP-937.088744803; Eh
thumbnail.jpeg20-Sep-2021S1_5Borowski, TomaszGaussian; 16; ES64L-G16RevA.03Single point StructureRwB97XD; TD-FCDEF2TZVP-937.105189592; Eh
thumbnail.jpeg20-Sep-2021S1_5aBorowski, TomaszGaussian; 16; ES64L-G16RevA.03Single point TSRwB97XD; TD-FCDEF2TZVP-937.088191785; Eh
thumbnail.jpeg20-Sep-2021S1_INT_OHBorowski, TomaszGaussian; 16; ES64L-G16RevC.01Single point StructureUwB97XDDEF2TZVP-
thumbnail.jpeg20-Sep-2021S1_INT_OOHBorowski, TomaszGaussian; 16; ES64L-G16RevC.01Single point StructureUwB97XDDEF2TZVP-
thumbnail.jpeg20-Sep-2021S1_TS_C2OBorowski, TomaszGaussian; 16; ES64L-G16RevC.01Single point StructureUwB97XDDEF2TZVP-
thumbnail.jpeg20-Sep-2021S1_TS_C4OBorowski, TomaszGaussian; 16; ES64L-G16RevC.01Single point StructureUwB97XDDEF2TZVP-
thumbnail.jpeg20-Sep-2021S1_TS_PTBorowski, TomaszGaussian; 16; ES64L-G16RevA.03Single point TSRwB97XD; TD-FCDEF2TZVP-937.085460250; Eh
thumbnail.jpeg4-Mar-2019S_B3LYP_BS2Stanczak, AgnieszkaGaussian; 09; AM64L-G09RevC.01Single point StructureUB3LYP--
thumbnail.jpeg4-Mar-2019S_B3LYP_PCMStanczak, AgnieszkaGaussian; 09; AM64L-G09RevC.01Single point StructureUB3LYP--
thumbnail.jpeg17-Aug-2022s_C6I6+2_BLYPEscayola, SilviaGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRBLYPSDD 6-311+G(D,P) GEN-296.158062966; Eh