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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg20-Sep-2021PBorowski, TomaszGaussian; 16; ES64L-G16RevA.03Single point TSRwB97XDDEF2TZVP-1087.59078926; Eh
thumbnail.jpeg4-Mar-2019P_B3LYP_BS2Stanczak, AgnieszkaGaussian; 09; AM64L-G09RevC.01Single point StructureUB3LYP--
thumbnail.jpeg4-Mar-2019P_B3LYP_PCMStanczak, AgnieszkaGaussian; 09; AM64L-G09RevC.01Single point StructureUB3LYP--
thumbnail.jpeg4-Mar-2019P_Cl_B3LYP_BS2Stanczak, AgnieszkaGaussian; 09; AM64L-G09RevC.01Single point StructureUB3LYP--
thumbnail.jpeg4-Mar-2019P_Cl_B3LYP_PCMStanczak, AgnieszkaGaussian; 09; AM64L-G09RevC.01Single point StructureUB3LYP--
thumbnail.jpeg4-Mar-2019P_Cl_TPSShStanczak, AgnieszkaGaussian; 09; AM64L-G09RevC.01Single point StructureUTPSSh--
thumbnail.jpeg4-Mar-2019P_Cl_wB97XDStanczak, AgnieszkaGaussian; 09; AM64L-G09RevC.01Single point StructureUwB97XD--
thumbnail.jpeg4-Mar-2019P_TPSShStanczak, AgnieszkaGaussian; 09; AM64L-G09RevC.01Single point StructureUTPSSh--
thumbnail.jpeg4-Mar-2019P_wB97XDStanczak, AgnieszkaGaussian; 09; AM64L-G09RevC.01Single point StructureUwB97XD--
Login required21-May-2019PRODUCT_3AAArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Single point StructureRM06L--1531.2412113; Eh
Login required21-May-2019PRODUCT_3AAPArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Single point StructureRM06L--1531.2408812; Eh
Login required21-May-2019PRODUCT_4AArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Single point StructureRM06L--1185.3120056; Eh
thumbnail.jpeg3-Oct-2019PRODUCT_55_SOSArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUB3LYP--2785.29394384; Eh
thumbnail.jpeg3-Oct-2019PRODUCT_55_TRIPLETArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Single point TSUB3LYP--2785.28609242; Eh
thumbnail.jpeg3-Oct-2019PRODUCT_56d_SOSArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Single point TSUB3LYP--2785.26534028; Eh
thumbnail.jpeg3-Oct-2019PRODUCT_56d_TRIPLETArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Single point TSUB3LYP--2785.25268520; Eh
thumbnail.jpeg3-Oct-2019PRODUCT_56f_SOSArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Single point MinimumUB3LYP--2785.28238905; Eh
thumbnail.jpeg3-Oct-2019PRODUCT_56f_TRIPLETArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUB3LYP--2785.28167712; Eh
thumbnail.jpeg3-Oct-2019PRODUCT_66_SOSArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUB3LYP--2785.26288383; Eh
thumbnail.jpeg3-Oct-2019PRODUCT_66_TRIPLETArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUB3LYP--2785.26422697; Eh