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 C6A8_56Artigas, AlbertGaussian; 09; AM64L-G09RevD.01Geometry optimization TSRB3LYPcc-pVDZ-4048.13342533; Eh
thumbnail.jpeg3-Oct-2019/C60ACET/SPE B6_56Artigas, AlbertGaussian; 09; AM64L-G09RevD.01Single point StructureRM06Lcc-pVTZ-4048.3663417; Eh
thumbnail.jpeg3-Oct-2019/ACET/SPE B7Artigas, AlbertGaussian; 09; AM64L-G09RevD.01Single point StructureRM06Lcc-pVTZ-1839.2148759; Eh
thumbnail.jpeg13-Sep-2021da_c60_TS-66Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYP6-311++G(2D,2P)-2481.162827; Eh
thumbnail.jpeg3-Oct-2019TS_66_CONCERTEDArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Single point StructureRB3LYP--2785.21244452; Eh
thumbnail.jpeg3-Oct-2019/C60ACET/OPTFREQ C6_56Artigas, AlbertGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRB3LYPcc-pVDZ-4048.17080257; Eh
thumbnail.jpeg3-Oct-2019/C60ACET/SPE B6Artigas, AlbertGaussian; 09; AM64L-G09RevD.01Single point StructureRM06Lcc-pVTZ-4048.3915702; Eh
thumbnail.jpeg3-Oct-2019/ACET/SPE B6B7Artigas, AlbertGaussian; 09; AM64L-G09RevD.01Single point StructureRM06Lcc-pVTZ-1839.20243; Eh
thumbnail.jpeg3-Oct-2019TS_56f_CONCERTEDArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Geometry optimization TSRB3LYP--2785.22952927; Eh
thumbnail.jpeg3-Oct-2019/C60ACET/OPTFREQ B6PA7P_56Artigas, AlbertGaussian; 09; AM64L-G09RevD.01Geometry optimization TSRB3LYPcc-pVDZ-3011.66256173; Eh
Results 1-10 of 311 (Search time: 0.001 seconds).