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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg30-May-2021/benchmarking/M06_6_311+Gdp Nidppf2_openNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRM066-311+G(D,P) GENECP-8024.5565888; Eh
thumbnail.jpeg30-May-2021/benchmarking/M06_6_311+Gdp Nidppf2_open_BrCH2CH2PhNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRM066-311+G(D,P) GENECP-10908.7069537; Eh
thumbnail.jpeg30-May-2021/benchmarking/M06_6_311+Gdp PhCH2CH2BrNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRM066-311+G(D,P) GENECP-2884.1310384; Eh
thumbnail.jpeg30-May-2021/benchmarking/M06_6_311+Gdp styreneNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRM066-311+G(D,P) GENECP-309.4773324; Eh
thumbnail.jpeg30-May-2021/benchmarking/M06_6_311+Gdp TS_bH_elimNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRM066-311+G(D,P) GENECP-7650.5321124; Eh
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 TS_Nidppf2_BrR_HA_ossNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureUM066-311+G(D,P) GENECP-10908.6708758; Eh
thumbnail.jpeg30-May-2021/benchmarking/M06_6_311+Gdp TS_Nidppf2_BrR_HA_tripNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureUM066-311+G(D,P) GENECP-10908.6524716; Eh
thumbnail.jpeg30-May-2021/benchmarking/M06_D3_6_311+Gdp CODNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRM066-311+G(D,P) GENECP-311.8640859; Eh
thumbnail.jpeg30-May-2021/benchmarking/M06_D3_6_311+Gdp dppfNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRM066-311+G(D,P) GENECP-3258.1495041; 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
thumbnail.jpeg30-May-2021/benchmarking/M06_L_6_311+Gdp CODNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRM06L6-311+G(D,P) GENECP-312.0715822; Eh
thumbnail.jpeg30-May-2021/benchmarking/M06_L_6_311+Gdp dppfNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRM06L6-311+G(D,P) GENECP-3259.0574076; Eh
thumbnail.jpeg30-May-2021/benchmarking/M06_L_6_311+Gdp NiCODdppfNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRM06L6-311+G(D,P) GENECP-5079.4442797; Eh
thumbnail.jpeg30-May-2021/benchmarking/M06_L_6_311+Gdp Nidppf2Nelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRM06L6-311+G(D,P) GENECP-8026.4533814; Eh
thumbnail.jpeg30-May-2021/benchmarking/M11_6_311+Gdp CODNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point Structure-6-311+G(D,P) GENECP-311.9027729; Eh
thumbnail.jpeg30-May-2021/benchmarking/M11_6_311+Gdp dppfNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point Structure-6-311+G(D,P) GENECP-3258.275085; Eh
thumbnail.jpeg30-May-2021/benchmarking/M11_6_311+Gdp NiCODdppfNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point Structure-6-311+G(D,P) GENECP-5078.3432128; Eh
thumbnail.jpeg30-May-2021/benchmarking/M11_6_311+Gdp Nidppf2Nelson, DavidGaussian; 16; AM64L-G16RevA.03Single point Structure-6-311+G(D,P) GENECP-8024.7288448; Eh