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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg3-Oct-2019/OPTFREQ A5PArtigas, AlbertGaussian; 09; AM64L-G09RevD.01Single point StructureRB3LYPcc-pVDZ-4655.28601484; Eh
thumbnail.jpeg3-Oct-2019/OPTFREQ TS_B1B2Artigas, AlbertGaussian; 09; AM64L-G09RevD.01Single point StructureRB3LYPcc-pVDZ-4655.20541141; Eh
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