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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg30-Sep-2021/DCM/adducts_DCM/add_ch3nch33 ch3nch33-sh_6311+Gd_ch2cl2-1Morán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB3LYP6-311+G(D)-613.270473631; Eh
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-och3_6311+Gd_ch2cl2Morán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB3LYP6-311+G(D)-386.883497540; 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-oh_6311+Gd_ch2cl2Morán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB3LYP6-311+G(D)-347.573568198; Eh
thumbnail.jpeg30-Sep-2021/DCM/adducts_DCM/add_ch3c6h5 ch3c6h5-nch33_6311+Gd_ch2cl2Morán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB3LYP6-311+G(D)-446.176252216; Eh
thumbnail.jpeg30-Sep-2021/DCM/adducts_DCM/add_ch3nch33 ch3nch33-cl_6311+Gd_ch2cl2-1Morán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB3LYP6-311+G(D)-674.724146909; 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_ch3nch33 ch3nch33-nch33_6311+Gd_ch2cl2Morán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumUB3LYP6-311+G(D)-388.868816179; Eh
thumbnail.jpeg30-Sep-2021/DCM/adducts_DCM/add_ch3nch33 ch3nch33-Ts_6311+Gd_ch2cl2Morán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB3LYP6-311+G(D)-1109.43583117; Eh
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