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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required27-Sep-2021SCO_TPSSh_S3_LSVidal, DanielGaussian; 16; ES64L-G16RevB.01Single point MinimumUTPSShDEF2TZVP-2866.51923233; Eh
Login required27-Sep-2021SCO_TPSSh_S6_LSVidal, DanielGaussian; 16; ES64L-G16RevB.01Single point MinimumUTPSShDEF2TZVP-3114.23741807; Eh
Login required27-Sep-2021SCO_TPSSh_S11_HSVidal, DanielGaussian; 16; ES64L-G16RevB.01Single point MinimumUTPSShDEF2TZVP-8013.42650283; Eh
Login required27-Sep-2021SCO_TPSSh_S16_HSVidal, DanielGaussian; 16; ES64L-G16RevB.01Single point MinimumUTPSShDEF2TZVP-2642.55475765; Eh
Login required27-Sep-2021SCO_TPSSh_S16_LSVidal, DanielGaussian; 16; ES64L-G16RevB.01Single point MinimumUTPSShDEF2TZVP-2642.57237271; Eh
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