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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg31-Jan-2017_1_Optimization_and_Frequencies_part1Serapian, StefanoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRPBE1PBED95(d); SDD-5546.14293477; Eh
thumbnail.jpeg31-Jan-2017_2_Optimization_and_Frequencies_part2Serapian, StefanoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRPBE1PBED95(d); SDD-5546.14716548; Eh
thumbnail.jpeg31-Jan-2017_2_Optimization_and_Frequencies_part5Serapian, StefanoGaussian; 09; EM64L-G09RevD.01Single point StructureRPBE1PBED95(d); SDD-5546.14718332; Eh
thumbnail.jpeg31-Jan-2017_1_Optimization_and_Frequencies_part2Serapian, StefanoGaussian; 09; EM64L-G09RevD.01Single point StructureRPBE1PBED95(d); SDD-5546.14293477; Eh
thumbnail.jpeg31-Jan-2017DFT_stabilitySerapian, StefanoGaussian; 09; EM64L-G09RevD.01Single point StructureRPBE1PBED95(d); SDD-4259.64360060; Eh
thumbnail.jpeg31-Jan-2017_2_StabilitySerapian, StefanoGaussian; 09; EM64L-G09RevD.01Single point StructureRPBE1PBED95(d); SDD-5546.14718331; Eh
thumbnail.jpeg31-Jan-2017_1_stabilitySerapian, StefanoGaussian; 09; EM64L-G09RevD.01Single point StructureRPBE1PBED95(d); SDD-5546.14293495; Eh
thumbnail.jpeg19-Sep-2016/Cs8_Ta6 Optimization_and_Frequencies_part_2Serapian, StefanoGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRPBE1PBE--1933.68759276; Eh
thumbnail.jpeg19-Sep-2016/Nb6 Optimization_and_FrequenciesSerapian, StefanoGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRPBE1PBE--1772.25484359; Eh
thumbnail.jpeg19-Sep-2016/Cs8_Ta6 DFT_stabilitySerapian, StefanoGaussian; 09; EM64L-G09RevD.01Single point StructureRPBE1PBE--1933.68759421; Eh
Results 61-70 of 227 (Search time: 0.002 seconds).