Search        

Current filters:
Add filters:

Use filters to refine the search results.

Item hits:
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg30-May-2021/benchmarking/M06_6_311+Gdp NiBrdppf2+rad_ossNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureUM066-311+G(D,P) GENECP-10908.6930663; Eh
thumbnail.jpeg30-May-2021/benchmarking/B3LYP_D3_6_311+Gdp dppfNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRB3LYP6-311+G(D,P) GENECP-3259.3991942; Eh
thumbnail.jpeg30-May-2021/benchmarking/MN15_6_311+Gdp dppfNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point Structure-6-311+G(D,P) GENECP-3257.6762854; Eh
thumbnail.jpeg30-May-2021/benchmarking/M06_6_311+Gdp TS_bH_elim_isomerNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRM066-311+G(D,P) GENECP-7650.5266618; Eh
thumbnail.jpeg30-May-2021/benchmarking/DLPNO-CCSDT-cc-pVTZ dppfNelson, DavidOrca; 4.2.1; RELEASESingle pointDLPNO-CCSD(T)cc-pVTZ; cc-pVTZ/C-3248.06564033; Eh
thumbnail.jpeg30-May-2021/benchmarking/M11_L_6_311+Gdp dppfNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point Structure-6-311+G(D,P) GENECP-3259.1512276; Eh
thumbnail.jpeg30-May-2021/reaction_profiles/PC6H4Me3 NidppfPC6H4Me3_HATS_tripletNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureUM066-311+G(D,P) GENECP-8804.338545; Eh
thumbnail.jpeg30-May-2021/benchmarking/M06_6_311+Gdp NiBrCH2CH2PhdppfNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRM066-311+G(D,P) GENECP-7650.562471; Eh
thumbnail.jpeg30-May-2021/benchmarking/wB97X_D_6_311+Gdp Nidppf2Nelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRwB97XD6-311+G(D,P) GENECP-8026.0897768; Eh
thumbnail.jpeg30-May-2021/benchmarking/wB97X_D_6_311+Gdp dppfNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRwB97XD6-311+G(D,P) GENECP-3258.8386869; Eh
Results 1811-1820 of 2088 (Search time: 0.004 seconds).