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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg3-Oct-2019TS1_56d_TRIPLETArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Single point StructureUB3LYP--2785.22537826; Eh
thumbnail.jpeg3-Oct-2019/C60ACET/OPTFREQ B3B4_56Artigas, AlbertGaussian; 09; AM64L-G09RevD.01Single point StructureRB3LYPcc-pVDZ-5007.15867776; Eh
thumbnail.jpeg3-Oct-2019/C60ACET/OPTFREQ B4Artigas, AlbertGaussian; 09; AM64L-G09RevD.01Single point StructureRB3LYPcc-pVDZ-5007.24180452; Eh
thumbnail.jpeg28-Jul-2022hexanoic-TS_oxo-beta-S1Besalú-Sala, PauGaussian; 16; ES64L-G16RevB.01Single point StructureUB3LYPDEF2TZVPP-2609.2889577; Eh
thumbnail.jpeg3-Oct-2019/C60ACET/OPTFREQ A3PArtigas, AlbertGaussian; 09; AM64L-G09RevD.01Single point StructureRB3LYPcc-pVDZ-2798.09392815; Eh
Login required21-May-2019TS_A3PPA4P_EXO_AArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Single point StructureRM06Lcc-pVTZ-4020.5277898; Eh
Login required21-May-2019TS_A4A5P_EXO_BArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Single point StructureRM06Lcc-pVTZ-4020.4625117; Eh
Login required21-May-2019TS_C1A2Artigas, AlbertGaussian; 09; ES64L-G09RevE.01Single point StructureRM06Lcc-pVTZ-3674.5170916; Eh
Login required21-May-2019TS_A53AA_ENDO_BArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Single point StructureRM06L--1531.1635467; Eh
Login required21-May-2019TS_A3PPA4P_ENDO_BArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Single point StructureRM06Lcc-pVTZ-4020.5075446; Eh
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