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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg30-May-2021/reaction_profiles/PC6H4Me3 NidppfPC6H4Me3_HATS_ossNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureUM066-311+G(D,P) GENECP-8804.3486582; 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 NiBrHdppfNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRM066-311+G(D,P) GENECP-7341.0558337; Eh
thumbnail.jpeg30-May-2021/reaction_profiles/PC6H4Me3 NidppfPC6H4Me3BrRNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRM066-311+G(D,P) GENECP-8804.3780828; Eh
thumbnail.jpeg30-May-2021/reaction_profiles/PC6H4Me3 NidppfPC6H4Me3Nelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRM066-311+G(D,P) GENECP-5920.2289598; 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/MN15_6_311+Gdp Nidppf2Nelson, DavidGaussian; 16; AM64L-G16RevA.03Single point Structure-6-311+G(D,P) GENECP-8024.0821745; Eh
thumbnail.jpeg30-May-2021/reaction_profiles/PC6H4Me3 NiBrdppfPC6H4Me3+rad_tripletNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureUM066-311+G(D,P) GENECP-8804.3687382; Eh
thumbnail.jpeg30-May-2021/benchmarking/M06_6_311+Gdp NiBrHdppfstyrene_isomerNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRM066-311+G(D,P) GENECP-7650.5434278; 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 551-560 of 684 (Search time: 0.003 seconds).