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Showing results 3712 to 3731 of 4618 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg19-Oct-2022PMI6-OH-CHOBesalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-746.1525389; Eh
thumbnail.jpeg13-Feb-2023PMI6-OH-NO2Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-836.8867473; Eh
thumbnail.jpeg18-Oct-2022PMI6-OH-NO2Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-836.8867473; Eh
thumbnail.jpeg19-Oct-2022PMI6-OH-NO2Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-836.8867473; Eh
Login required18-Oct-2023PPh3diaz, alexGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYPCC-PVDZ-1036.38610875; Eh
thumbnail.jpeg27-Feb-2024PPh3diaz, alexGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYPCC-PVDZ-1036.38610875; Eh
thumbnail.jpeg27-Feb-2024PPh3diaz, alexGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYPCC-PVDZ-1036.38610875; Eh
thumbnail.jpeg26-Oct-2022Product-cisvila, jordiGaussian; 16; ES64L-G16RevA.03Single point StructureRwB97XDCC-PVTZ-1718.3710176; Eh
thumbnail.jpeg26-Oct-2022Product-transvila, jordiGaussian; 16; ES64L-G16RevA.03Single point StructureRwB97XDCC-PVTZ-1718.3713066; Eh
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
Showing results 3712 to 3731 of 4618 < previous   next >