Search        

Current filters:
Add filters:

Use filters to refine the search results.

Item hits:
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg3-Oct-2019/C60ACET/OPTFREQ B5PPArtigas, AlbertGaussian; 09; AM64L-G09RevD.01Geometry optimization MinimumRB3LYPcc-pVDZ-2934.33618756; Eh
thumbnail.jpeg3-Oct-2019/C60ACET/OPTFREQ B4PPB5PP_56Artigas, AlbertGaussian; 09; AM64L-G09RevD.01Geometry optimization TSRB3LYPcc-pVDZ-2934.27367080; Eh
thumbnail.jpeg3-Oct-2019/C60ACET/OPTFREQ A3PA4Artigas, AlbertGaussian; 09; AM64L-G09RevD.01Geometry optimization TSRB3LYPcc-pVDZ-2798.07086484; Eh
thumbnail.jpeg3-Oct-2019/C60ACET/OPTFREQ B5Artigas, AlbertGaussian; 09; AM64L-G09RevD.01Single point StructureRB3LYPcc-pVDZ-5084.57432455; Eh
thumbnail.jpeg3-Oct-2019/C60ACET/SPE B5PPArtigas, AlbertGaussian; 09; AM64L-G09RevD.01Single point StructureRM06Lcc-pVTZ-2934.5378952; Eh
thumbnail.jpeg3-Oct-2019TS2_56d_TRIPLETArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Geometry optimization TSUB3LYP--2785.22810934; Eh
thumbnail.jpeg3-Oct-2019TS2_66_SOSArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Geometry optimization TSUB3LYP--2785.21809268; Eh
thumbnail.jpeg3-Oct-2019/ACET/SPE B6Artigas, AlbertGaussian; 09; AM64L-G09RevD.01Single point StructureRM06Lcc-pVTZ-1839.2051095; Eh
thumbnail.jpeg3-Oct-2019PRODUCT_56d_TRIPLETArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Single point TSUB3LYP--2785.25268520; Eh
thumbnail.jpeg3-Oct-2019TS2_55_SOSArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Geometry optimization TSUB3LYP--2785.24962224; Eh
Results 31-40 of 287 (Search time: 0.001 seconds).