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.jpeg25-Aug-2020/Ni_dppf_alkyl/Ni_dppf_open-dppf G16_SP_BB_BenzeneNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRB3LYP6-311+G(D,P) GENECP-8027.2071344; Eh
thumbnail.jpeg25-Aug-2020/Ni_dppf_alkyl/NiCODdppf+ G16_SP_Benzene_BB_as_neutralNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRB3LYP6-311+G(D,P) GENECP-5079.9224368; Eh
thumbnail.jpeg25-Aug-2020/Ni_dppf_alkyl/Ni_CH2CH2Ph_Cl_dppf G16_SP_BB_BenzeneNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRB3LYP6-311+G(D,P) GENECP-5538.4243968; Eh
thumbnail.jpeg25-Aug-2020/Ni_dppf_alkyl/NiCODdppf G16_SP_BB_BenzeneNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRB3LYP6-311+G(D,P) GENECP-5079.9368876; Eh
thumbnail.jpeg25-Aug-2020/Ni_dppf_aryl/Ni_dppf_open_dppf_e2PhBr G16_SP_BB_BenzeneNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRB3LYP6-311+G(D,P) GENECP-10833.0693878; Eh
thumbnail.jpeg25-Aug-2020/Ni_dppf_aryl/Nidppf2_OATS G16_SP_BB_BenzeneNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRB3LYP6-311+G(D,P) GENECP-10833.066877; Eh
thumbnail.jpeg25-Aug-2020/Ni_dppf_aryl/Nidppf_BrPh G16_SP_BB_BenzeneNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRB3LYP6-311+G(D,P) GENECP-7573.6379533; Eh
thumbnail.jpeg25-Aug-2020/Ni_dppf_aryl/NiBrPhdppf G16_SP_BB_BenzeneNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRB3LYP6-311+G(D,P) GENECP-7573.6937165; Eh
thumbnail.jpeg25-Aug-2020/Ni_dppf_aryl/PhBr G16_SP_BB_BenzeneNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRB3LYP6-311+G(D,P) GENECP-2805.8719946; 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
Results 61-70 of 86 (Search time: 0.034 seconds).