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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg16-Sep-2024Depside-_COBorowski, TomaszGaussian; 16; ES64L-G16RevC.01Single point StructureUB3LYPDEF2TZVP-1107.4520699; Eh
thumbnail.jpeg16-Sep-2024TS2Borowski, TomaszGaussian; 16; ES64L-G16RevC.01Single point StructureUB3LYPDEF2TZVP-1107.2853874; Eh
thumbnail.jpeg16-Sep-2024TS1_freqBorowski, TomaszGaussian; 16; ES64L-G16RevC.01Single point StructureUB3LYPDEF2SVP-1106.04209673; Eh
thumbnail.jpeg16-Sep-2024TS1Borowski, TomaszGaussian; 16; ES64L-G16RevC.01Single point StructureUB3LYPDEF2TZVP-1107.276993; Eh
thumbnail.jpeg16-Sep-20243INT1Borowski, TomaszGaussian; 16; ES64L-G16RevC.01Single point StructureUB3LYPDEF2TZVP-1107.2780688; Eh
thumbnail.jpeg16-Sep-2024COBorowski, TomaszGaussian; 16; ES64L-G16RevC.01Single point StructureUB3LYPDEF2TZVP-113.3638652; Eh
thumbnail.jpeg16-Sep-2024o2Borowski, TomaszGaussian; 16; ES64L-G16RevC.01Single point StructureUB3LYPDEF2TZVP-150.3903243; Eh
thumbnail.jpeg16-Sep-2024TS2_freqBorowski, TomaszGaussian; 16; ES64L-G16RevC.01Single point StructureUB3LYPDEF2SVP-1106.05007174; Eh
thumbnail.jpeg16-Sep-20241INT1Borowski, TomaszGaussian; 16; ES64L-G16RevC.01Single point StructureUB3LYPDEF2TZVP-1107.3082274; Eh
thumbnail.jpeg16-Sep-20241-_O2Borowski, TomaszGaussian; 16; ES64L-G16RevC.01Single point StructureUB3LYPDEF2TZVP-1107.2954887; Eh
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