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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
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
Login required27-Sep-2021SCO_TPSSh_S7_HSVidal, DanielGaussian; 16; ES64L-G16RevB.01Single point StructureUTPSShDEF2TZVP-5117.47954860; Eh
Login required27-Sep-2021SCO_TPSSh_S7_LSVidal, DanielGaussian; 16; ES64L-G16RevB.01Single point StructureUTPSShDEF2TZVP-5117.49938039; Eh
Login required27-Sep-2021SCO_TPSSh_S10_HSVidal, DanielGaussian; 16; ES64L-G16RevB.01Single point StructureUTPSShDEF2TZVP-2719.19680050; Eh
Login required27-Sep-2021SCO_TPSSh_S9_LSVidal, DanielGaussian; 16; ES64L-G16RevB.01Single point StructureUTPSShDEF2TZVP-3114.62355023; Eh
Login required27-Sep-2021SCO_TPSSh_S9_HSVidal, DanielGaussian; 16; ES64L-G16RevB.01Single point StructureUTPSShDEF2TZVP-3114.60707968; Eh
Login required27-Sep-2021SCO_TPSSh_S8_HSVidal, DanielGaussian; 16; ES64L-G16RevB.01Single point StructureUTPSShDEF2TZVP-2791.25755719; Eh
Login required27-Sep-2021SCO_TPSSh_S8_LSVidal, DanielGaussian; 16; ES64L-G16RevB.01Single point StructureUTPSShDEF2TZVP-2791.27457504; Eh
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