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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg19-Sep-2016/Nb6 RefreqSerapian, StefanoGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRPBE1PBE--1772.25485431; Eh
thumbnail.jpeg19-Sep-2016/Ta6 RefreqSerapian, StefanoGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRPBE1PBE--1772.70264434; Eh
thumbnail.jpeg19-Sep-2016/Cs1_Ta6 Optimization_and_Frequencies_part_2Serapian, StefanoGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRPBE1PBE--1792.83068570; Eh
thumbnail.jpeg19-Sep-2016/Cs8_Nb6 Optimization_and_FrequenciesSerapian, StefanoGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRPBE1PBE--1933.24140453; Eh
thumbnail.jpeg19-Sep-2016/Cs1_Ta6 Optimization_and_FrequenciesSerapian, StefanoGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRPBE1PBE--1792.83021916; Eh
thumbnail.jpeg19-Sep-2016/Nb6 Optimization_and_FrequenciesSerapian, StefanoGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRPBE1PBE--1772.25484359; Eh
thumbnail.jpeg13-Oct-2016/Rb8_Ta6 RefreqSerapian, StefanoGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRPBE1PBE--1965.24011524; Eh
thumbnail.jpeg19-Sep-2016/Cs8_Nb6 RefreqSerapian, StefanoGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRPBE1PBE--1933.24140606; Eh
thumbnail.jpeg13-Oct-2016/Rb8_Ta6 Optimization_and_Frequencies_part_3Serapian, StefanoGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRPBE1PBE--1965.24011373; Eh
thumbnail.jpeg19-Sep-2016/Cs8_Ta6 Optimization_and_FrequenciesSerapian, StefanoGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRPBE1PBE--1933.68759278; Eh
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