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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg26-Sep-2016/Gold ATS1_CBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D6-31g(d); lanl2dz-1793.91361836; Eh
thumbnail.jpeg26-Sep-2016/Gold ATS1_ABesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D6-31g(d); lanl2dz-1793.92095773; Eh
thumbnail.jpeg26-Sep-2016/Gold TS_rotationABBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D6-31g(d); lanl2dz-1793.92433668; Eh
thumbnail.jpeg26-Sep-2016/Gold ITS1Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D6-31g(d); lanl2dz-1793.92520528; Eh
thumbnail.jpeg26-Sep-2016/Silver ATS2Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D6-31g(d); lanl2dz-1804.23325722; Eh
thumbnail.jpeg26-Sep-2016/Gold TS_rotationBCBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D6-31g(d); lanl2dz-1793.91346922; Eh
thumbnail.jpeg26-Sep-2016/Gold TS_rotationACBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D6-31g(d); lanl2dz-1793.92139701; Eh
thumbnail.jpeg26-Sep-2016/Silver ATS1_ABesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D6-31g(d); lanl2dz-1804.21053468; Eh
thumbnail.jpeg26-Sep-2016/Gold ATS1_Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D6-31g(d); lanl2dz-1793.92089820; Eh
thumbnail.jpeg26-Sep-2016/Copper ITS2Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D6-31g(d); lanl2dz-2007.63984854; Eh
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