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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
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_ch3c6h5 ch3c6h5-f_6311+Gd_ch2cl2Morán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB3LYP6-311+G(D)-371.661365983; Eh
thumbnail.jpeg30-Sep-2021/DCM/adducts_DCM/add_ch3sch2ch3 ch3sch2ch3-oh_6311+Gd_ch2cl2Morán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB3LYP6-311+G(D)-593.323629587; Eh
thumbnail.jpeg30-Sep-2021/DCM/adducts_DCM/add_ch3sch2ch3 ch3sch2ch3-oTs_6311+Gd_ch2cl2Morán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB3LYP6-311+G(D)-1412.50458155; Eh
thumbnail.jpeg30-Sep-2021/DCM/adducts_DCM/add_ch3sch2ch3 ch3sch2ch3-cl_6311+Gd_ch2cl2Morán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB3LYP6-311+G(D)-977.795557599; Eh
thumbnail.jpeg30-Sep-2021/DCM/adducts_DCM/add_ch3sch2ch3 ch3sch2ch3-sch2ch3_6311+Gd_ch2cl2Morán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB3LYP6-311+G(D)-994.977779460; Eh
thumbnail.jpeg30-Sep-2021/DCM/adducts_DCM/add_ch3sch2ch3 ch3sch2ch3-cn_6311+Gd_ch2cl2Morán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB3LYP6-311+G(D)-610.379736256; Eh
thumbnail.jpeg30-Sep-2021/DCM/adducts_DCM/add_ch3sch2ch3 ch3sch2ch3-f_6311+Gd_ch2cl2Morán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB3LYP6-311+G(D)-617.411898099; 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
thumbnail.jpeg30-Sep-2021/DCM/adducts_DCM/add_ch3sch2ch3 ch3sch2ch3-nh2_6311+Gd_ch2cl2Morán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB3LYP6-311+G(D)-573.425034279; Eh
Results 7691-7700 of 13266 (Search time: 0.007 seconds).