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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
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/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/BP86_D3_6_311+Gdp CODNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRBP866-311+G(D,P) GENECP-312.1269391; Eh
thumbnail.jpeg30-May-2021/benchmarking/BP86_D3_6_311+Gdp NiCODdppfNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRBP866-311+G(D,P) GENECP-5080.4366606; Eh
thumbnail.jpeg30-May-2021/benchmarking/BP86_D3_6_311+Gdp Nidppf2Nelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRBP866-311+G(D,P) GENECP-8027.992979; Eh
Results 181-186 of 186 (Search time: 0.002 seconds).