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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg13-Oct-2016/Li8_Ta6 RefreqSerapian, StefanoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRPBE1PBE--650.984854209; Eh
thumbnail.jpeg13-Oct-2016/Li8_Ta6 Optimization_before_refreqSerapian, StefanoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRPBE1PBE--650.984854210; Eh
thumbnail.jpeg19-Sep-2016/Cs4_Ta6 Optimization_and_FrequenciesSerapian, StefanoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRPBE1PBE--1853.20431191; Eh
thumbnail.jpeg19-Sep-2016/Cs4_Nb6 RefreqSerapian, StefanoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRPBE1PBE--1852.75750803; Eh
thumbnail.jpeg19-Sep-2016/Cs4_Nb6 Optimization_and_FrequenciesSerapian, StefanoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRPBE1PBE--1852.75737142; Eh
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