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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg13-Oct-2016/K8_Ta6 RefreqSerapian, StefanoGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRPBE1PBE--1999.02909052; Eh
thumbnail.jpeg19-Sep-2016/Cs8_Nb6 Optimization_and_FrequenciesSerapian, StefanoGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRPBE1PBE--1933.24140453; Eh
thumbnail.jpeg13-Oct-2016/K8_Ta6 Optimization_and_FrequenciesSerapian, StefanoGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRPBE1PBE--1999.02908891; Eh
thumbnail.jpeg13-Oct-2016/Rb8_Ta6 RefreqSerapian, StefanoGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRPBE1PBE--1965.24011524; 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/Cs1_Nb6 Optimization_and_FrequenciesSerapian, StefanoGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRPBE1PBE--1792.38294470; Eh
thumbnail.jpeg13-Oct-2016/Na8_Ta6 Optimization_(with_erroneous_frequency_calculation)Serapian, StefanoGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRPBE1PBE--3070.00186719; 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/Cs1_Ta6 RefreqSerapian, StefanoGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRPBE1PBE--1792.83068817; Eh
thumbnail.jpeg19-Sep-2016/Cs8_Nb6 RefreqSerapian, StefanoGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRPBE1PBE--1933.24140606; Eh
Results 11-20 of 53 (Search time: 0.001 seconds).