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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg3-Oct-2019/OPTFREQ TS_C2C3Artigas, AlbertGaussian; 09; AM64L-G09RevD.01Geometry optimization TSUB3LYP--3240.51321170; Eh
thumbnail.jpeg3-Oct-2019/OPTFREQ TS_C1C2PArtigas, AlbertGaussian; 09; AM64L-G09RevD.01Single point StructureUB3LYP--3240.47115297; Eh
thumbnail.jpeg3-Oct-2019/OPTFREQ C3PArtigas, AlbertGaussian; 09; AM64L-G09RevD.01Geometry optimization MinimumUB3LYP--3240.50181365; Eh
thumbnail.jpeg3-Oct-2019/OPTFREQ TS_C2C3PArtigas, AlbertGaussian; 09; AM64L-G09RevD.01Geometry optimization TSUB3LYP--3240.49682731; Eh
thumbnail.jpeg3-Oct-2019/OPTFREQ C2PArtigas, AlbertGaussian; 09; AM64L-G09RevD.01Geometry optimization MinimumUB3LYP--3240.51908980; Eh
thumbnail.jpeg3-Oct-2019/OPTFREQ C2Artigas, AlbertGaussian; 09; AM64L-G09RevD.01Geometry optimization MinimumUB3LYP--3240.51974548; Eh
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