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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg30-May-2021/benchmarking/CAM_B3LYP_6_311+Gdp Nidppf2Nelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRCAM-B3LYP6-311+G(D,P) GENECP-8025.4975393; Eh
thumbnail.jpeg30-May-2021/benchmarking/B3LYP_D3_6_311+G2d2p NiCODdppfNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRB3LYP6-311+G(2D,2P)-5080.0054174; Eh
thumbnail.jpeg30-May-2021/benchmarking/B3LYP_D3_6_311+G2d2p Nidppf2Nelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRB3LYP6-311+G(2D,2P)-8027.3362748; Eh
thumbnail.jpeg30-May-2021/benchmarking/B3LYP_D3_6_311+G2d2p dppfNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRB3LYP6-311+G(2D,2P) GENECP-3259.4537996; Eh
thumbnail.jpeg30-May-2021/benchmarking/CAM_B3LYP_6_311+Gdp dppfNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRCAM-B3LYP6-311+G(D,P) GENECP-3258.5522381; Eh
thumbnail.jpeg30-May-2021/benchmarking/CAM_B3LYP_D3_6_311+Gdp CODNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRCAM-B3LYP6-311+G(D,P) GENECP-311.9417672; 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/B3LYP_D3BJ_6_311+Gdp NiCODdppfNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRB3LYP6-311+G(D,P) GENECP-5080.065996; 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
Results 21-30 of 186 (Search time: 0.002 seconds).