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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg13-Oct-2016/Rb8_Ta6 Optimization_and_FrequenciesSerapian, StefanoGaussian; 09; EM64L-G09RevD.01Geometry optimization Structure---1965.23929827; Eh
thumbnail.jpeg13-Oct-2016/Rb8_Ta6 Optimization_and_Frequencies_part_2Serapian, StefanoGaussian; 09; EM64L-G09RevD.01Geometry optimization Structure---1965.22773630; Eh
thumbnail.jpeg13-Oct-2016/Li8_Ta6 FrequenciesSerapian, StefanoGaussian; 09; EM64L-G09RevD.01Geometry optimization StructureRPBE1PBE--650.984849442; Eh
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