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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg25-Aug-2020/Ni_dppf_alkyl/Ni_dppf_ICH2CH2Ph G16_SP_BB_BenzeneNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRB3LYP6-311+G(D,P) GENECP-5089.5398956; 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.jpeg16-Oct-2020/Rh/TStrans_IV__VId MM3-16-transcyclopropanation-CHD-PROXIMAL-TSoptArmengol i Relats, HelenaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYPLANL2DZ 6-31G(D,P) GENECP-2905.18069784; Eh
thumbnail.jpeg16-Oct-2020/Rh/TS_Vb_VIb MM3-29-transdistal_int-to-transcyclopropane-TSoptArmengol i Relats, HelenaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYPLANL2DZ 6-31G(D,P) GENECP-2905.21188828; Eh
thumbnail.jpeg16-Oct-2020/Rh/TS_IV_Vb MM3-10-transcyclopropanation-CHD-TSoptArmengol i Relats, HelenaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYPLANL2DZ 6-31G(D,P) GENECP-2905.18381971; Eh
thumbnail.jpeg25-Aug-2020/Ni_dppf_aryl/Ni_dppf_open_dppf_Ph_Br G16_SP_BB_BenzeneNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRB3LYP6-311+G(D,P) GENECP-10833.0902637; Eh
thumbnail.jpeg25-Aug-2020/Ni_dppf_aryl/Ni_dppf_open_dppf_BrPh G16_SP_BB_BenzeneNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRB3LYP6-311+G(D,P) GENECP-10833.0871328; 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.jpeg20-Nov-2021pph33b3lyp_fMorán, LucíaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+G* GENECP-1036.34074580; Eh
thumbnail.jpeg20-Nov-2021ph3oso3-corrMorán, LucíaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+G* SDD GENECP-658.677537669; Eh
Results 6151-6160 of 6954 (Search time: 0.006 seconds).