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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg30-Sep-2021/DCM/adducts_DCM/add_ch3nh2 ch3nh2-c6h5_6311+Gd_ch2cl2Morán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB3LYP6-311+G(D)-327.643963451; Eh
thumbnail.jpeg30-Sep-2021/DCM/adducts_DCM/add_ch3och2ch3 ch3och2ch3-cl_6311+Gd_ch2cl2Morán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB3LYP6-311+G(D)-654.808579180; Eh
thumbnail.jpeg30-Sep-2021/DCM/adducts_DCM/add_ch3och2ch3 ch3och2ch3-cf3_6311+Gd_ch2cl2Morán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB3LYP6-311+G(D)-532.238095960; Eh
thumbnail.jpeg30-Sep-2021/DCM/adducts_DCM/add_ch3nh2 ch3nh2-sch3_6311+Gd_ch2cl2-1Morán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB3LYP6-311+G(D)-534.146471255; Eh
thumbnail.jpeg30-Sep-2021/DCM/adducts_DCM/add_ch3och2ch3 ch3och2ch3-sh_6311+Gd_ch2cl2Morán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB3LYP6-311+G(D)-593.354702537; Eh
thumbnail.jpeg30-Sep-2021/DCM/adducts_DCM/add_ch3nch33 ch3nch33-cf3_6311+Gd_ch2cl2Morán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB3LYP6-311+G(D)-552.153166717; Eh
thumbnail.jpeg30-Sep-2021/DCM/adducts_DCM/add_ch3nh2 ch3nh2-nh2_6311+Gd_ch2cl2Morán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB3LYP6-311+G(D)-151.921241418; Eh
thumbnail.jpeg30-Sep-2021/DCM/adducts_DCM/add_ch3nh2 ch3nh2-cl_6311+Gd_ch2cl2Morán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB3LYP6-311+G(D)-556.292071553; Eh
thumbnail.jpeg30-Sep-2021/DCM/adducts_DCM/add_ch3och2ch3 ch3och2ch3-cn_6311+Gd_ch2cl2Morán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB3LYP6-311+G(D)-287.392765562; Eh
thumbnail.jpeg30-Sep-2021/DCM/adducts_DCM/add_ch3nch33 ch3nch33-i_6311+Gd_ch2cl2-3spMorán, LucíaGaussian; 16; AM64L-G16RevA.03Single point StructureRB3LYP6-311+G* GENECP-
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