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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required27-Sep-2021SCO_TPSSh_S7_HSVidal, DanielGaussian; 16; ES64L-G16RevB.01Single point StructureUTPSShDEF2TZVP-5117.47954860; Eh
Login required27-Sep-2021SCO_TPSSh_S6_HSVidal, DanielGaussian; 16; ES64L-G16RevB.01Single point StructureUTPSShDEF2TZVP-3114.21836333; Eh
Login required27-Sep-2021SCO_TPSSh_S6_LSVidal, DanielGaussian; 16; ES64L-G16RevB.01Single point MinimumUTPSShDEF2TZVP-3114.23741807; 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
Login required27-Sep-2021SCO_TPSSh_S3_LSVidal, DanielGaussian; 16; ES64L-G16RevB.01Single point MinimumUTPSShDEF2TZVP-2866.51923233; Eh
Login required27-Sep-2021SCO_TPSSh_S12_LSVidal, DanielGaussian; 16; ES64L-G16RevB.01Single point StructureUTPSShDEF2TZVP-4077.70787716; Eh
Results 1-10 of 38 (Search time: 0.001 seconds).