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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg30-Sep-2021/DCM/adducts_DCM/add_ch3c6h5 ch3c6h5-Ts_6311+Gd_ch2cl2Morán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB3LYP6-311+G(D)-1166.75453238; Eh
thumbnail.jpeg30-Sep-2021/DCM/adducts_DCM/add_ch3c6h5 ch3c6h5-cl_6311+Gd_ch2cl2-1Morán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB3LYP6-311+G(D)-732.045202932; Eh
thumbnail.jpeg30-Sep-2021/DCM/adducts_DCM/add_ch3c6h5 ch3c6h5-cn_6311+Gd_ch2cl2-1Morán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB3LYP6-311+G(D)-364.628792901; Eh
thumbnail.jpeg30-Sep-2021/DCM/adducts_DCM/add_ch3c6h5 ch3f-c6h5_6311+Gd_ch2cl2Morán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB3LYP6-311+G(D)-371.546594925; Eh
thumbnail.jpeg30-Sep-2021/DCM/adducts_DCM/add_ch3c6h5 ch3c6h5-br_6311+Gd_ch2cl2Morán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB3LYP6-311+G* GENECP-284.986919098; Eh
thumbnail.jpeg30-Sep-2021/DCM/adducts_DCM/add_ch3c6h5 ch3c6h5-i_6311+Gd_ch2cl2Morán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB3LYP6-311+G* GENECP-283.214395220; Eh
thumbnail.jpeg30-Sep-2021/DCM/adducts_DCM/add_ch3c6h5 ch3c6h5-nhcho_6311+Gd_ch2cl2_1Morán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB3LYP6-311+G(D)-
thumbnail.jpeg30-Sep-2021/DCM/adducts_DCM/add_ch3sch2ch3 ch3sch2ch3-c6h5_6311+Gd_ch2cl2Morán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB3LYP6-311+G(D)-749.148186052; Eh
thumbnail.jpeg30-Sep-2021/DCM/adducts_DCM/add_ch3sch2ch3 ch3sch2ch3-och2ch3_6311+Gd_ch2cl2Morán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB3LYP6-311+G(D)-671.965390798; Eh
thumbnail.jpeg30-Sep-2021/DCM/adducts_DCM/add_ch3sch2ch3 ch3sch2ch3-nch33_6311+Gd_ch2cl2Morán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB3LYP6-311+G(D)-691.926626316; Eh
Results 6181-6190 of 6834 (Search time: 0.005 seconds).