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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg26-Sep-2016/Gold ATS1_Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D6-31g(d); lanl2dz-1793.92089820; Eh
thumbnail.jpeg26-Sep-2016/Gold ATS2Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D6-31g(d); lanl2dz-1793.93364135; Eh
thumbnail.jpeg26-Sep-2016/Silver ITS1Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D6-31g(d); lanl2dz-1804.20957200; Eh
thumbnail.jpeg26-Sep-2016/Copper ATS2Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D6-31g(d); lanl2dz-1854.84661766; Eh
thumbnail.jpeg18-Jul-2018TS2_P0methaneBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D6-31g*; lanl2dz-4568.94290862; Eh
thumbnail.jpeg18-Jul-2018P2Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D6-31g*; lanl2dz-4647.51422901; Eh
thumbnail.jpeg18-Jul-2018P6Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D6-31g*; lanl2dz-4686.80160107; Eh
thumbnail.jpeg18-Jul-2018S1Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D6-31g*; lanl2dz-4647.51622365; Eh
thumbnail.jpeg18-Jul-2018T1Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D6-31g*; lanl2dz-4686.80321249; Eh
thumbnail.jpeg2-May-2019cat5_TS4synsiBBesora, MariaGaussian; 09; EM64L-G09RevA.02Geometry optimization TSRB97D--2715.71374401; Eh
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