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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/B3LYP_6_311+G2d2p NiCODdppfNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRB3LYP6-311+G(2D,2P)-5079.847964; 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/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
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/benchmarking/B3LYP_D3BJ_6_311+Gdp CODNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRB3LYP6-311+G(D,P) GENECP-312.1604942; Eh
thumbnail.jpeg25-Aug-2020/Ni_dppf_alkyl_solv_opt/TS_3c_Nidppf_PhCH2CH2Cl G16_SP_BB_BenzeneNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRB3LYP6-311+G(D,P) GENECP-5538.3521473; 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
Results 301-310 of 322 (Search time: 0.001 seconds).