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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/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/reaction_profiles/AsPh3 NiBrdppfAsPh3+rad_ossNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureUM066-311+G(D,P) GENECP-10580.9002941; Eh
thumbnail.jpeg30-May-2021/reaction_profiles/PC6H4OMe3 NidppfPC6H4OMe3BrRNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRM066-311+G(D,P) GENECP-9029.9752308; Eh
thumbnail.jpeg30-May-2021/reaction_profiles/POPh3 NiBrdppfPOPh3+rad_tripletNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureUM066-311+G(D,P) GENECP-8912.1773032; Eh
thumbnail.jpeg30-May-2021/reaction_profiles/AsPh3 NidppfAsPh3_HATS_tripletNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureUM066-311+G(D,P) GENECP-10580.8634188; Eh
thumbnail.jpeg30-May-2021/reaction_profiles/POPh3 NidppfPOPh3BrRNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRM066-311+G(D,P) GENECP-8912.1958048; Eh
thumbnail.jpeg30-May-2021/reaction_profiles/PC6H4OMe3 NidppfPC6H4OMe3Nelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRM066-311+G(D,P) GENECP-6145.8252762; Eh
thumbnail.jpeg30-May-2021/reaction_profiles/POPh3 NidppfPOPh3Nelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRM066-311+G(D,P) GENECP-6028.0483622; Eh
Results 41-50 of 186 (Search time: 0.002 seconds).