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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg30-May-2021/benchmarking/M06_6_311+Gdp TS_bH_elim_isomerNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRM066-311+G(D,P) GENECP-7650.5266618; Eh
thumbnail.jpeg30-May-2021/benchmarking/M06_6_311+Gdp NiBrHdppfstyrene_isomerNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRM066-311+G(D,P) GENECP-7650.5434278; Eh
thumbnail.jpeg30-May-2021/benchmarking/M06_6_311+Gdp NiBrCH2CH2PhdppfNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRM066-311+G(D,P) GENECP-7650.562471; Eh
thumbnail.jpeg30-May-2021/benchmarking/M06_6_311+Gdp NiBrHdppfNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRM066-311+G(D,P) GENECP-7341.0558337; Eh
thumbnail.jpeg30-May-2021/benchmarking/M06_6_311+Gdp NiCODdppfNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRM066-311+G(D,P) GENECP-5078.2884665; Eh
thumbnail.jpeg30-May-2021/benchmarking/M06_6_311+Gdp Nidppf2Nelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRM066-311+G(D,P) GENECP-8024.5726442; Eh
thumbnail.jpeg30-May-2021/benchmarking/M06_6_311+Gdp CODNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRM066-311+G(D,P) GENECP-311.8618736; Eh
thumbnail.jpeg30-May-2021/benchmarking/M06_6_311+Gdp NiBrCHMePhdppfNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRM066-311+G(D,P) GENECP-7650.5539936; Eh
thumbnail.jpeg30-May-2021/benchmarking/M06_D3_6_311+Gdp NiCODdppfNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRM066-311+G(D,P) GENECP-5078.3198109; Eh
thumbnail.jpeg30-May-2021/benchmarking/M06_D3_6_311+Gdp Nidppf2Nelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRM066-311+G(D,P) GENECP-8024.6368557; Eh
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