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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg31-Jan-2017_1_def2TZVP_single_point_onlySerapian, StefanoGaussian; 09; EM64L-G09RevD.01Single point StructureRPBE1PBE--5758.39933110; Eh
thumbnail.jpeg31-Jan-2017_2_Optimization_and_FrequenciesSerapian, StefanoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRPBE1PBE--1568.60879801; Eh
thumbnail.jpeg31-Jan-2017_2_TD-DFT_stabilitySerapian, StefanoGaussian; 09; EM64L-G09RevD.01Single point StructureRPBE1PBE--1568.94461256; Eh
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_1_Optimization_and_Frequencies_part2Serapian, StefanoGaussian; 09; EM64L-G09RevD.01Single point Structure-D95(d); SDD-5546.13344183; Eh
thumbnail.jpeg31-Jan-2017_1_Optimization_and_FrequenciesSerapian, StefanoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRPBE1PBE--1298.49164836; Eh
thumbnail.jpeg31-Jan-2017DFT_stabilitySerapian, StefanoGaussian; 09; EM64L-G09RevD.01Single point StructureRPBE1PBED95(d); SDD-4259.64360060; Eh
thumbnail.jpeg31-Jan-2017_1_Optimization_and_Frequencies_part7Serapian, StefanoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRPBE1PBE--5546.14258597; Eh
thumbnail.jpeg31-Jan-2017_2_Optimization_and_Frequencies_part3Serapian, StefanoGaussian; 09; EM64L-G09RevD.01Single point StructureRPBE1PBED95(d); SDD-5546.14716548; Eh
thumbnail.jpeg31-Jan-2017_2_Optimization_and_Frequencies_part4Serapian, StefanoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRPBE1PBED95(d); SDD-5546.14718331; Eh
Results 21-30 of 174 (Search time: 0.0 seconds).