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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg3-Oct-2019/OPTFREQ TS_A4A5Artigas, AlbertGaussian; 09; AM64L-G09RevD.01Geometry optimization TSRB3LYPcc-pVDZ-4655.26587507; Eh
thumbnail.jpeg3-Oct-2019/OPTFREQ PRODUCTArtigas, AlbertGaussian; 09; AM64L-G09RevD.01Geometry optimization MinimumRB3LYPcc-pVDZ-3240.56930474; Eh
thumbnail.jpeg3-Oct-2019/OPTFREQ A5PArtigas, AlbertGaussian; 09; AM64L-G09RevD.01Single point StructureRB3LYPcc-pVDZ-4655.28601484; Eh
thumbnail.jpeg3-Oct-2019/OPTFREQ A3Artigas, AlbertGaussian; 09; AM64L-G09RevD.01Geometry optimization MinimumRB3LYPcc-pVDZ-4655.28487436; Eh
thumbnail.jpeg3-Oct-2019/OPTFREQ C1Artigas, AlbertGaussian; 09; AM64L-G09RevD.01Geometry optimization MinimumRB3LYP--3240.56929301; Eh
thumbnail.jpeg3-Oct-2019/OPTFREQ C3Artigas, AlbertGaussian; 09; AM64L-G09RevD.01Geometry optimization MinimumRB3LYP--3240.54336634; Eh
thumbnail.jpeg3-Oct-2019/OPTFREQ TS_A3A4Artigas, AlbertGaussian; 09; AM64L-G09RevD.01Geometry optimization TSRB3LYPcc-pVDZ-4655.27451617; Eh
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
Results 11-20 of 29 (Search time: 0.0 seconds).