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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
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 CODNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRB3LYP6-311+G(2D,2P)-312.1550359; 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/B3LYP_D3BJ_6_311+Gdp Nidppf2Nelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRB3LYP6-311+G(D,P) GENECP-8027.4468956; Eh
thumbnail.jpeg30-May-2021/benchmarking/B3LYP_6_311+G2d2p NiCODdppfNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRB3LYP6-311+G(2D,2P)-5079.847964; 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/B3LYP_D3BJ_6_311+Gdp dppfNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRB3LYP6-311+G(D,P) GENECP-3259.4997062; Eh
thumbnail.jpeg30-May-2021/benchmarking/B3LYP_6_311+G2d2p Nidppf2Nelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRB3LYP6-311+G(2D,2P)-8027.0505937; Eh
thumbnail.jpeg30-May-2021/benchmarking/B3LYP_6_311+G2d2p dppfNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRB3LYP6-311+G(2D,2P) GENECP-3259.3596515; Eh
Results 1-10 of 186 (Search time: 0.0 seconds).