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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg31-Jan-2017_2constrained_Optimization_part1Serapian, StefanoGaussian; 09; EM64L-G09RevD.01Single point Structure---1568.56424951; Eh
thumbnail.jpeg31-Jan-2017_2_StabilitySerapian, StefanoGaussian; 09; EM64L-G09RevD.01Single point StructureRPBE1PBE--1298.49825930; Eh
thumbnail.jpeg31-Jan-2017_1_stabilitySerapian, StefanoGaussian; 09; EM64L-G09RevD.01Single point StructureRPBE1PBE--1298.49164834; Eh
thumbnail.jpeg31-Jan-2017_1_def2TZVP_singlepointSerapian, StefanoGaussian; 09; EM64L-G09RevD.01Single point StructureRPBE1PBE--5758.37361549; Eh
thumbnail.jpeg31-Jan-2017_2_def2TZVP_singlepointSerapian, StefanoGaussian; 09; EM64L-G09RevD.01Single point StructureRPBE1PBE--5758.37876707; Eh
thumbnail.jpeg31-Jan-2017_1_def2TZVP_singlepointSerapian, StefanoGaussian; 09; EM64L-G09RevD.01Single point StructureRPBE1PBE--1568.91473752; Eh
thumbnail.jpeg31-Jan-2017_2_def2TZVP_singlepointSerapian, StefanoGaussian; 09; EM64L-G09RevD.01Single point StructureRPBE1PBE--1568.92284953; Eh
thumbnail.jpeg31-Jan-2017_1_TD-DFTSerapian, StefanoGaussian; 09; EM64L-G09RevD.01Single point StructureRPBE1PBE; TD-FC--1298.76768272; Eh
thumbnail.jpeg31-Jan-2017_2_TD-DFTSerapian, StefanoGaussian; 09; EM64L-G09RevD.01Single point StructureRPBE1PBE; TD-FC--1298.77397156; Eh
thumbnail.jpeg31-Jan-2017_1_def2TZVP_single_point_onlySerapian, StefanoGaussian; 09; EM64L-G09RevD.01Single point StructureRPBE1PBE--5758.39933110; Eh
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