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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg29-Sep-20177major_tbu_solvFernández, VíctorGaussian; 09; EM64L-G09RevD.01Single point StructureRwB97XDlanl2dz; 6-31+g(d)-4183.24726772; Eh
thumbnail.jpeg29-Sep-20174_tbu_solvFernández, VíctorGaussian; 09; EM64L-G09RevD.01Single point StructureRwB97XDlanl2dz; 6-31+g(d)-2765.21130896; Eh
thumbnail.jpeg29-Sep-20175_e_solvFernández, VíctorGaussian; 09; EM64L-G09RevD.01Single point StructureRwB97XDlanl2dz; 6-31+g(d)-2123.19469209; Eh
thumbnail.jpeg29-Sep-20175_d_solvFernández, VíctorGaussian; 09; EM64L-G09RevD.01Single point StructureRwB97XDlanl2dz; 6-31+g(d)-3229.20057104; Eh
thumbnail.jpeg29-Sep-20172_tbu_solvFernández, VíctorGaussian; 09; EM64L-G09RevD.01Single point StructureRwB97XDlanl2dz; 6-31+g(d)-2325.04668145; Eh
thumbnail.jpeg29-Sep-20177minor_tbu_solvFernández, VíctorGaussian; 09; EM64L-G09RevD.01Single point StructureRwB97XDlanl2dz; 6-31+g(d)-4183.24481518; Eh
thumbnail.jpeg29-Sep-20175_tbu_solvFernández, VíctorGaussian; 09; EM64L-G09RevD.01Single point StructureRwB97XDlanl2dz; 6-31+g(d)-2764.74471620; Eh
thumbnail.jpeg30-May-2021/benchmarking/wB97X_D_6_311+Gdp NiCODdppfNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRwB97XD6-311+G(D,P) GENECP-5079.2464923; Eh
thumbnail.jpeg30-May-2021/benchmarking/wB97X_D_6_311+Gdp Nidppf2Nelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRwB97XD6-311+G(D,P) GENECP-8026.0897768; Eh
thumbnail.jpeg30-May-2021/benchmarking/wB97X_D_6_311+Gdp dppfNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRwB97XD6-311+G(D,P) GENECP-3258.8386869; Eh
Results 1-10 of 11 (Search time: 0.002 seconds).