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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg20-Sep-2021reactant_TS_C4PWBBorowski, TomaszGaussian; 16; ES64L-G16RevA.03Single point StructureRwB97XDDEF2TZVP-1163.91028275; Eh
thumbnail.jpeg20-Sep-2021S1-T1_MECP2_BBorowski, TomaszGaussian; 16; ES64L-G16RevA.03Single point StructureUwB97XDDEF2TZVP-936.986097168; Eh
thumbnail.jpeg20-Sep-2021INT_C2PBorowski, TomaszGaussian; 16; ES64L-G16RevA.03Single point StructureRwB97XDDEF2TZVP-1087.45293884; Eh
thumbnail.jpeg20-Sep-20216aBorowski, TomaszGaussian; 16; ES64L-G16RevA.03Single point StructureRwB97XDDEF2TZVP-1087.44020178; Eh
thumbnail.jpeg20-Sep-2021T2-T1_MECP2_ABorowski, TomaszGaussian; 16; ES64L-G16RevA.03Single point StructureUwB97XDDEF2TZVP-
thumbnail.jpeg20-Sep-2021reactant_TS_C4PWBorowski, TomaszGaussian; 16; ES64L-G16RevA.03Single point StructureRwB97XDDEF2TZVP-1163.89874663; Eh
thumbnail.jpeg20-Sep-2021T2_5aBorowski, TomaszGaussian; 16; ES64L-G16RevA.03Single point StructureRwB97XD; TD-FCDEF2TZVP-937.084967244; Eh
thumbnail.jpeg20-Sep-2021S1_TS_PTBorowski, TomaszGaussian; 16; ES64L-G16RevA.03Single point TSRwB97XD; TD-FCDEF2TZVP-937.085460250; Eh
thumbnail.jpeg20-Sep-2021TS_C2Borowski, TomaszGaussian; 16; ES64L-G16RevA.03Single point StructureUwB97XDDEF2TZVP-1087.40457411; Eh
thumbnail.jpeg20-Sep-2021TS_C4PWBBorowski, TomaszGaussian; 16; ES64L-G16RevA.03Single point TSRwB97XDDEF2TZVP-1163.86601066; Eh
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