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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
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
Login required27-Sep-2021SCO_TPSSh_S15_LSVidal, DanielGaussian; 16; ES64L-G16RevB.01Single point StructureUTPSShDEF2TZVP-2902.62717335; Eh
Login required27-Sep-2021SCO_TPSSh_S18_HSVidal, DanielGaussian; 16; ES64L-G16RevB.01Single point StructureUTPSShDEF2TZVP-2832.36173103; 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
Login required27-Sep-2021SCO_TPSSh_S18_LSVidal, DanielGaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumUTPSShDEF2TZVP-2832.38207813; Eh
Results 31-38 of 38 (Search time: 0.002 seconds).