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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg24-Jun-2020t-E-TS4Sangita, KachhapGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYPDEF2TZVP-1131.5851117; Eh
thumbnail.jpeg24-Jun-2020t-Enol-1Sangita, KachhapGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYPDEF2TZVP-1169.6772056; Eh
thumbnail.jpeg24-Jun-2020t-Enol-2Sangita, KachhapGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYPDEF2SVP-1130.32673; Eh
thumbnail.jpeg24-Jun-2020t-H-TS3Sangita, KachhapGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYPDEF2TZVP-1169.6416824; Eh
thumbnail.jpeg24-Jun-2020t-HemiacetalSangita, KachhapGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYPDEF2TZVP-1169.6801743; Eh
thumbnail.jpeg20-Sep-2021T1_5Borowski, TomaszGaussian; 16; ES64L-G16RevA.03Single point StructureUwB97XDDEF2TZVP-937.037185204; Eh
thumbnail.jpeg20-Sep-2021T1_5aBorowski, TomaszGaussian; 16; ES64L-G16RevA.03Single point StructureUwB97XDDEF2TZVP-937.054715345; Eh
thumbnail.jpeg20-Sep-2021T1_6aBorowski, TomaszGaussian; 16; ES64L-G16RevC.01Single point StructureUwB97XDDEF2TZVP-
thumbnail.jpeg20-Sep-2021T1_INT_C2PBorowski, TomaszGaussian; 16; ES64L-G16RevC.01Single point StructureUwB97XDDEF2TZVP-
thumbnail.jpeg20-Sep-2021T1_INT_OHBorowski, TomaszGaussian; 16; ES64L-G16RevC.01Single point StructureUwB97XDDEF2TZVP-
thumbnail.jpeg20-Sep-2021T1_INT_OOHBorowski, TomaszGaussian; 16; ES64L-G16RevC.01Single point StructureUwB97XDDEF2TZVP-
thumbnail.jpeg20-Sep-2021T1_S0_MECP2_ABorowski, TomaszGaussian; 16; ES64L-G16RevA.03Single point StructureRwB97XDDEF2TZVP-
thumbnail.jpeg20-Sep-2021T1_S0_MECP2_BBorowski, TomaszGaussian; 16; ES64L-G16RevA.03Single point StructureUwB97XDDEF2TZVP-
thumbnail.jpeg20-Sep-2021T1_TS_NHBorowski, TomaszGaussian; 16; ES64L-G16RevC.01Single point StructureUwB97XDDEF2TZVP-
thumbnail.jpeg20-Sep-2021T1_TS_OOBorowski, TomaszGaussian; 16; ES64L-G16RevC.01Single point StructureUwB97XDDEF2TZVP-
thumbnail.jpeg20-Sep-2021T1_TS_PTBorowski, TomaszGaussian; 16; ES64L-G16RevA.03Single point TSUwB97XDDEF2TZVP-937.032383120; Eh
thumbnail.jpeg20-Sep-2021T2-T1_MECP1_ABorowski, TomaszGaussian; 16; ES64L-G16RevA.03Single point StructureUwB97XDDEF2TZVP-937.020085609; Eh
thumbnail.jpeg20-Sep-2021T2-T1_MECP1_BBorowski, TomaszGaussian; 16; ES64L-G16RevA.03Single point StructureRwB97XD; TD-FCDEF2TZVP-937.095978225; Eh
thumbnail.jpeg20-Sep-2021T2-T1_MECP2_ABorowski, TomaszGaussian; 16; ES64L-G16RevA.03Single point StructureUwB97XDDEF2TZVP-
thumbnail.jpeg20-Sep-2021T2-T1_MECP2_BBorowski, TomaszGaussian; 16; ES64L-G16RevA.03Single point StructureRwB97XD; TD-FCDEF2TZVP-