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/B3LYP_6_311+G2d2p NiCODdppfNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRB3LYP6-311+G(2D,2P)-5079.847964; Eh
thumbnail.jpeg30-May-2021/benchmarking/B3LYP_6_311+G2d2p Nidppf2Nelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRB3LYP6-311+G(2D,2P)-8027.0505937; Eh
thumbnail.jpeg30-May-2021/benchmarking/B3LYP_6_311+G2d2p CODNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRB3LYP6-311+G(2D,2P)-312.1393201; Eh
thumbnail.jpeg25-Aug-2020/Ni_dppf_alkyl_solv_opt/TS_3c_Nidppf_PhCH2CH2Cl G16_SP_BB_BenzeneNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRB3LYP6-311+G(D,P) GENECP-5538.3521473; Eh
thumbnail.jpeg30-May-2021/benchmarking/B3LYP_D3BJ_6_311+Gdp Nidppf2Nelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRB3LYP6-311+G(D,P) GENECP-8027.4468956; Eh
thumbnail.jpeg25-Aug-2020/Ni_dppf_alkyl_solv_opt/PhCH2CH2Cl G16_SP_BB_BenzeneNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRB3LYP6-311+G(D,P) GENECP-770.6126229; Eh
thumbnail.jpeg25-Aug-2020/Ni_dppf_alkyl_solv_opt/PhCH2CH2Br_radanion G16_SP_BB_Benzene_as_neutralNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRB3LYP6-311+G(D,P) GENECP-2884.4262562; Eh
thumbnail.jpeg25-Aug-2020/Ni_dppf_alkyl_solv_opt/Ni_dppf_ClCH2CH2Ph G16_SP_BB_BenzeneNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRB3LYP6-311+G(D,P) GENECP-5538.3767356; Eh
thumbnail.jpeg25-Aug-2020/Ni_dppf_alkyl/Nidppf_ethene_ClCH2CH2Ph G16_SP_BB_BenzeneNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRB3LYP6-311+G(D,P) GENECP-5617.0482657; Eh
thumbnail.jpeg25-Aug-2020/Ni_dppf_alkyl_solv_opt/Ni_CH2CH2Ph_Cl_dppf G16_SP_BB_BenzeneNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRB3LYP6-311+G(D,P) GENECP-5538.4245871; Eh
Results 1-10 of 86 (Search time: 0.002 seconds).