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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required27-Sep-2021SCO_TPSSh_S11_LSVidal, DanielGaussian; 16; ES64L-G16RevB.01Single point StructureUTPSShDEF2TZVP-8013.44778321; Eh
Login required27-Sep-2021SCO_TPSSh_S14_HSVidal, DanielGaussian; 16; ES64L-G16RevB.01Single point StructureUTPSShGENECP-3460.51818391; Eh
Login required27-Sep-2021SCO_TPSSh_S13_LSVidal, DanielGaussian; 16; ES64L-G16RevB.01Single point StructureUTPSShDEF2TZVP-2673.47021856; Eh
Login required27-Sep-2021SCO_TPSSh_S14_LSVidal, DanielGaussian; 16; ES64L-G16RevB.01Single point StructureUTPSShGENECP-3460.54016983; Eh
Login required27-Sep-2021SCO_TPSSh_S13_HSVidal, DanielGaussian; 16; ES64L-G16RevB.01Single point StructureUTPSShDEF2TZVP-2673.45201021; Eh
Login required27-Sep-2021SCO_TPSSh_S18_HS_OLDVidal, DanielGaussian; 16; ES64L-G16RevB.01Single point StructureUTPSShDEF2TZVP-2832.32771957; Eh
Login required27-Sep-2021SCO_TPSSh_S18_LS_OLDVidal, DanielGaussian; 16; ES64L-G16RevB.01Single point StructureUTPSShDEF2TZVP-2832.33430018; Eh
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
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