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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg30-May-2021/benchmarking/wB97X_D_6_311+Gdp CODNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRwB97XD6-311+G(D,P) GENECP-312.021771; Eh
thumbnail.jpeg30-May-2021/reaction_profiles/PC6H4Me3 PC6H4Me3Nelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRM066-311+G(D,P) GENECP-1153.8058749; Eh
thumbnail.jpeg30-May-2021/benchmarking/DLPNO-CCSDT-cc-pVTZ CODNelson, DavidOrca; 4.2.1; RELEASESingle pointDLPNO-CCSD(T)cc-pVTZ; cc-pVTZ/C-309.99804789; Eh
thumbnail.jpeg30-May-2021/benchmarking/MN15_6_311+Gdp NiCODdppfNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point Structure-6-311+G(D,P) GENECP-5078.0920538; Eh
thumbnail.jpeg30-May-2021/benchmarking/M11_L_6_311+Gdp CODNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point Structure-6-311+G(D,P) GENECP-312.052852; Eh
thumbnail.jpeg30-May-2021/benchmarking/MN15_6_311+Gdp CODNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point Structure-6-311+G(D,P) GENECP-311.7037077; Eh
thumbnail.jpeg30-May-2021/benchmarking/M06_6_311+Gdp NiBrCHMePhdppfNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRM066-311+G(D,P) GENECP-7650.5539936; Eh
thumbnail.jpeg30-May-2021/benchmarking/M06_D3_6_311+Gdp NiCODdppfNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRM066-311+G(D,P) GENECP-5078.3198109; Eh
thumbnail.jpeg30-May-2021/benchmarking/M06_6_311+Gdp dppfNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRM066-311+G(D,P) GENECP-3258.1303342; Eh
thumbnail.jpeg30-May-2021/benchmarking/M06_D3_6_311+Gdp CODNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRM066-311+G(D,P) GENECP-311.8640859; Eh
Results 531-540 of 562 (Search time: 0.003 seconds).