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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg30-Sep-2021/DCM/adducts_DCM/add_ch3sch3 ch3sch3-cn_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB3LYP6-311+G(D)-571.052765237; Eh
thumbnail.jpeg30-Sep-2021/DCM/adducts_DCM/add_ch3sch3 ch3sch3-oh_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB3LYP6-311+G(D)-553.996959541; Eh
thumbnail.jpeg30-Sep-2021/DCM/adducts_DCM/add_ch3sch3 ch3sch3-nh2_6311+Gd_ch2cl2Morán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB3LYP6-311+G(D)-534.096646286; Eh
thumbnail.jpeg30-Sep-2021/DCM/adducts_DCM/add_ch3sch3 ch3sch3-cl_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB3LYP6-311+G(D)-938.468599455; Eh
thumbnail.jpeg30-Sep-2021/DCM/adducts_DCM/add_ch3sch3 ch3sch3-sch3_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB3LYP6-311+G(D)-916.323188507; Eh
thumbnail.jpeg30-Sep-2021/DCM/adducts_DCM/add_ch3och2ch3 ch3och2ch3-och2ch3_6311+Gd_ch2cl2Morán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB3LYP6-311+G(D)-348.978330819; Eh
thumbnail.jpeg30-Sep-2021/DCM/adducts_DCM/add_ch3och2ch3 ch3och2ch3_hooch_6311+Gd_ch2cl2-1Morán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB3LYP6-311+G(D)-458.898977132; Eh
thumbnail.jpeg30-Sep-2021/DCM/adducts_DCM/add_ch3och2ch3 ch3och2ch3-oh_6311+Gd_ch2cl2Morán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB3LYP6-311+G(D)-270.336963215; Eh
thumbnail.jpeg30-Sep-2021/DCM/adducts_DCM/add_ch3nh2 ch3nh2-i_6311+Gd_ch2cl2Morán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB3LYP6-311+G* GENECP-107.461310429; Eh
thumbnail.jpeg30-Sep-2021/DCM/adducts_DCM/add_ch3nh2 ch3nh2-oh_6311+Gd_ch2cl2Morán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB3LYP6-311+G(D)-171.820362343; Eh
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