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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
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
Login required27-Sep-2021SCO_B3LYPSTAR_S3_HSVidal, DanielGaussian; 16; ES64L-G16RevB.01Single point StructureUBLYPDEF2TZVP-2852.88717034; Eh
Login required27-Sep-2021SCO_B3LYPSTAR_S4_HSVidal, DanielGaussian; 16; ES64L-G16RevB.01Single point StructureUBLYPDEF2TZVP-2706.66864763; Eh
Login required27-Sep-2021SCO_B3LYPSTAR_S3_LSVidal, DanielGaussian; 16; ES64L-G16RevB.01Single point MinimumUBLYPDEF2TZVP-2852.89971016; Eh
Login required27-Sep-2021SCO_B3LYPSTAR_S4_LSVidal, DanielGaussian; 16; ES64L-G16RevB.01Single point StructureUBLYPDEF2TZVP-2706.67695308; Eh
Login required27-Sep-2021SCO_B3LYPSTAR_S7_LSVidal, DanielGaussian; 16; ES64L-G16RevB.01Single point StructureUBLYPDEF2TZVP-5100.70158600; Eh
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