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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg3-Oct-2019/OPTFREQ TS_B1B2Artigas, AlbertGaussian; 09; AM64L-G09RevD.01Single point StructureRB3LYPcc-pVDZ-4655.20541141; Eh
thumbnail.jpeg3-Oct-2019/OPTFREQ TS_C3A9Artigas, AlbertGaussian; 09; AM64L-G09RevD.01Geometry optimization TSRB3LYPcc-pVDZ-3240.54298486; Eh
thumbnail.jpeg3-Oct-2019/OPTFREQ DIYNEArtigas, AlbertGaussian; 09; AM64L-G09RevD.01Geometry optimization MinimumRB3LYPcc-pVDZ-954.025450047; Eh
thumbnail.jpeg3-Oct-2019/SPE TS_A7A8_SPEArtigas, AlbertGaussian; 09; AM64L-G09RevD.01Single point StructureRM06cc-pVTZ-4653.5573024; Eh
thumbnail.jpeg3-Oct-2019/OPTFREQ TS_A7A8Artigas, AlbertGaussian; 09; AM64L-G09RevD.01Geometry optimization TSRB3LYPcc-pVDZ-4655.28590413; Eh
thumbnail.jpeg3-Oct-2019/OPTFREQ A6Artigas, AlbertGaussian; 09; AM64L-G09RevD.01Geometry optimization MinimumRB3LYPcc-pVDZ-4655.30195826; Eh
thumbnail.jpeg3-Oct-2019/OPTFREQ B3Artigas, AlbertGaussian; 09; AM64L-G09RevD.01Geometry optimization MinimumRB3LYPcc-pVDZ-4655.25587066; Eh
thumbnail.jpeg3-Oct-2019/OPTFREQ CATALYSTArtigas, AlbertGaussian; 09; AM64L-G09RevD.01Geometry optimization MinimumRB3LYPcc-pVDZ-1414.66453140; Eh
thumbnail.jpeg3-Oct-2019/SPE TS_A4A5P_SPEArtigas, AlbertGaussian; 09; AM64L-G09RevD.01Single point StructureRM06cc-pVTZ-4653.4993174; Eh
thumbnail.jpeg3-Oct-2019/SPE TS_C2C3_SPEArtigas, AlbertGaussian; 09; AM64L-G09RevD.01Single point StructureUM06--3239.1371696; Eh
Results 31-40 of 76 (Search time: 0.001 seconds).