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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required27-Sep-2021SCO_TPSSh_S17_LSVidal, DanielGaussian; 16; ES64L-G16RevB.01Single point StructureUTPSShDEF2TZVP-2444.66395197; Eh
Login required27-Sep-2021SCO_TPSSh_S17_HSVidal, DanielGaussian; 16; ES64L-G16RevB.01Single point StructureUTPSShDEF2TZVP-2444.63740455; Eh
Login required27-Sep-2021SCO_TPSSh_S15_HSVidal, DanielGaussian; 16; ES64L-G16RevB.01Single point StructureUTPSShDEF2TZVP-2902.60837006; Eh
Login required27-Sep-2021SCO_TPSSh_S15_LSVidal, DanielGaussian; 16; ES64L-G16RevB.01Single point StructureUTPSShDEF2TZVP-2902.62717335; Eh
Login required27-Sep-2021SCO_TPSSh_S18_HSVidal, DanielGaussian; 16; ES64L-G16RevB.01Single point StructureUTPSShDEF2TZVP-2832.36173103; Eh
Login required27-Sep-2021SCO_B3LYPSTAR_S2_HSVidal, DanielGaussian; 16; ES64L-G16RevB.01Single point StructureUBLYPDEF2TZVP-4399.40110196; Eh
Login required27-Sep-2021SCO_B3LYPSTAR_S2_LSVidal, DanielGaussian; 16; ES64L-G16RevB.01Single point StructureUBLYPDEF2TZVP-4399.42758027; Eh
Login required27-Sep-2021SCO_B3LYPSTAR_S1_HSVidal, DanielGaussian; 16; ES64L-G16RevB.01Single point StructureUBLYPDEF2TZVP-3145.97127236; Eh
Login required27-Sep-2021SCO_B3LYPSTAR_S1_LSVidal, DanielGaussian; 16; ES64L-G16RevB.01Single point StructureUBLYPDEF2TZVP-3145.97752295; Eh
Login required27-Sep-2021SCO_B3LYPSTAR_S5_HSVidal, DanielGaussian; 16; ES64L-G16RevB.01Single point StructureUBLYPDEF2TZVP-2696.81288604; Eh
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