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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
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 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 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 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 PhCH2CH2BrNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRM066-311+G(D,P) GENECP-2884.1310384; Eh
thumbnail.jpeg30-May-2021/reaction_profiles/PC6H4CF33 NidppfPC6H4CF33BrRNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRM066-311+G(D,P) GENECP-9697.5981253; Eh
thumbnail.jpeg30-May-2021/reaction_profiles/FcPPh2 NidppfFcPPh2BrRNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRM066-311+G(D,P) GENECP-10104.8960823; Eh
thumbnail.jpeg30-May-2021/reaction_profiles/PPh3 NidppfPPh32Nelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRM066-311+G(D,P) GENECP-6838.2918755; Eh
thumbnail.jpeg30-May-2021/reaction_profiles/FcPPh2 FcPPh2Nelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRM066-311+G(D,P) GENECP-2454.3240349; Eh
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