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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg30-May-2021/reaction_profiles/NMe3 NidppfNMe3_HATS_tripletNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureUM066-311+G(D,P) GENECP-7824.8899091; Eh
thumbnail.jpeg30-May-2021/reaction_profiles/AsPh3 NidppfAsPh32Nelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRM066-311+G(D,P) GENECP-10627.1496902; Eh
thumbnail.jpeg30-May-2021/reaction_profiles/SbPh3 NiBrdppfSbPh3+rad_ossNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureUM066-311+G(D,P) GENECP-8350.5096854; Eh
thumbnail.jpeg30-May-2021/reaction_profiles/SbPh3 NiBrdppfSbPh3+rad_tripletNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureUM066-311+G(D,P) GENECP-8350.5096503; Eh
thumbnail.jpeg30-May-2021/reaction_profiles/AsPh3 NidppfAsPh3BrRNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRM066-311+G(D,P) GENECP-10580.9038277; Eh
thumbnail.jpeg30-May-2021/reaction_profiles/SbPh3 NidppfSbPh32Nelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRM066-311+G(D,P) GENECP-6166.3781494; Eh
thumbnail.jpeg30-May-2021/reaction_profiles/AsPh3 NidppfAsPh3Nelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRM066-311+G(D,P) GENECP-7696.7642773; Eh
thumbnail.jpeg30-May-2021/benchmarking/wB97X_D_6_311+Gdp NiCODdppfNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRwB97XD6-311+G(D,P) GENECP-5079.2464923; Eh
thumbnail.jpeg30-May-2021/benchmarking/M06_6_311+Gdp styreneNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRM066-311+G(D,P) GENECP-309.4773324; Eh
thumbnail.jpeg30-May-2021/benchmarking/DLPNO-CCSDT-cc-pVTZ Nidppf2Nelson, DavidOrca; 4.2.1; RELEASESingle pointDLPNO-CCSD(T)cc-pVTZ; cc-pVTZ/C-8002.78970376; Eh
Results 1-10 of 186 (Search time: 0.002 seconds).