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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required27-Sep-2021SCO_TPSSh_S2_HSVidal, DanielGaussian; 16; ES64L-G16RevB.01Single point StructureUTPSShDEF2TZVP-4399.96633641; Eh
Login required27-Sep-2021SCO_TPSSh_S1_LSVidal, DanielGaussian; 16; ES64L-G16RevB.01Single point StructureUTPSShDEF2TZVP-3158.45237391; Eh
Login required27-Sep-2021SCO_TPSSh_S1_HSVidal, DanielGaussian; 16; ES64L-G16RevB.01Single point StructureUTPSShDEF2TZVP-3158.43695614; Eh
Login required27-Sep-2021SCO_TPSSh_S2_LSVidal, DanielGaussian; 16; ES64L-G16RevB.01Single point StructureUTPSShDEF2TZVP-4399.98419064; Eh
Login required27-Sep-2021SCO_TPSSh_S6_HSVidal, DanielGaussian; 16; ES64L-G16RevB.01Single point StructureUTPSShDEF2TZVP-3114.21836333; Eh
Login required27-Sep-2021SCO_TPSSh_S5_LSVidal, DanielGaussian; 16; ES64L-G16RevB.01Single point StructureUTPSShDEF2TZVP-2709.10197098; Eh
Login required27-Sep-2021SCO_TPSSh_S5_HSVidal, DanielGaussian; 16; ES64L-G16RevB.01Single point StructureUTPSShDEF2TZVP-2709.08460125; Eh
Login required27-Sep-2021SCO_TPSSh_S3_HSVidal, DanielGaussian; 16; ES64L-G16RevB.01Single point StructureUTPSShDEF2TZVP-2866.49817281; Eh
Login required27-Sep-2021SCO_TPSSh_S4_HSVidal, DanielGaussian; 16; ES64L-G16RevB.01Single point StructureUTPSShDEF2TZVP-2719.21273828; Eh
Login required27-Sep-2021SCO_TPSSh_S4_LSVidal, DanielGaussian; 16; ES64L-G16RevB.01Single point StructureUTPSShDEF2TZVP-2719.23061056; Eh
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