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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg25-Aug-2020/Ni_dppf_alkyl/NiCODdppf+ G16_SP_BB_BenzeneNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureUB3LYP6-311+G(D,P) GENECP-5079.8042647; Eh
thumbnail.jpeg25-Aug-2020/Ni_dppf_aryl/Nidppf2_HATS G16_SP_BB_Benzene_OpenShellSingletNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureUB3LYP6-311+G(D,P) GENECP-10833.0640357; Eh
thumbnail.jpeg25-Aug-2020/Ni_dppf_alkyl/NiCODdppf G16_SP_Benzene_BB_as_cationNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureUB3LYP6-311+G(D,P) GENECP-5079.7829167; Eh
thumbnail.jpeg25-Aug-2020/Ni_dppf_alkyl_solv_opt/NiBrdppf_plus_PhCH2CH2_radical G16_SP_BB_Benzene_tripletNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureUB3LYP6-311+G(D,P) GENECP-7652.3242268; Eh
thumbnail.jpeg25-Aug-2020/Ni_dppf_alkyl_solv_opt/PhCH2CH2Cl_radanion G16_SP_BB_BenzeneNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureUB3LYP6-311+G(D,P) GENECP-770.6746527; Eh
thumbnail.jpeg25-Aug-2020/Ni_dppf_alkyl_solv_opt/PhCH2CH2Br_radanion G16_SP_BB_BenzeneNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureUB3LYP6-311+G(D,P) GENECP-2884.604886; Eh
thumbnail.jpeg25-Aug-2020/Ni_dppf_alkyl_solv_opt/NiBrdppf_plus_PhCH2CH2_radical G16_SP_BB_Benzene_ossNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureUB3LYP6-311+G(D,P) GENECP-7652.3242228; Eh
thumbnail.jpeg25-Aug-2020/Ni_dppf_alkyl_solv_opt/NiCldppf_plus_PhCH2CH2_radical G16_SP_BB_Benzene_tripletNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureUB3LYP6-311+G(D,P) GENECP-5538.399672; Eh
thumbnail.jpeg25-Aug-2020/Ni_dppf_alkyl_solv_opt/PhCH2CH2I G16_SP_BB_Benzene_as_radical_anionNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureUB3LYP6-311+G(D,P) GENECP-321.8002357; Eh
thumbnail.jpeg25-Aug-2020/Ni_dppf_alkyl/TS_HA_Nidppf_PhCH2CH2Cl G16_SP_BB_Benzene_tripletNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureUB3LYP6-311+G(D,P) GENECP-5538.3461682; Eh
Results 21-30 of 63 (Search time: 0.001 seconds).