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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg30-Sep-2021/DCM/adducts_DCM/add_ch3nh2 ch3nh2-ph2_6311+Gd_ch2cl22Morán, LucíaGaussian; 16; AM64L-G16RevA.03Single point Structure-6-311+G(D)-438.554922336; Eh
thumbnail.jpeg30-Sep-2021/DCM/adducts_DCM/add_ch3och2ch3 ch3och2ch3-sch3_6311+Gd_ch2cl2Morán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB3LYP6-311+G(D)-632.663072671; Eh
thumbnail.jpeg30-Sep-2021/DCM/adducts_DCM/add_ch3nh2 ch3nh2-och3_6311+Gd_ch2cl2Morán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB3LYP6-311+G(D)-211.132231519; Eh
thumbnail.jpeg30-Sep-2021/DCM/adducts_DCM/add_ch3och2ch3 ch3och2ch3-f_6311+Gd_ch2cl2Morán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB3LYP6-311+G(D)-294.424965186; Eh
thumbnail.jpeg30-Sep-2021/DCM/adducts_DCM/add_ch3nh2 ch3nh2-sh_6311+Gd_ch2cl2Morán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB3LYP6-311+G(D)-494.838062263; Eh
thumbnail.jpeg30-Sep-2021/DCM/adducts_DCM/add_ch3nch33 ch3nch33-nhcho_6311+Gd_ch2cl2_1Morán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB3LYP6-311+G(D)-383.784691554; Eh
thumbnail.jpeg30-Sep-2021/DCM/adducts_DCM/add_ch3och2ch3 ch3och2ch3-nch33_6311+Gd_ch2cl2Morán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB3LYP6-311+G(D)-368.939676457; Eh
thumbnail.jpeg30-Sep-2021/DCM/adducts_DCM/add_ch3och2ch3 ch3och2ch3-br_6311+Gd_ch2cl2Morán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB3LYP6-311+G* GENECP-207.750422659; Eh
thumbnail.jpeg30-Sep-2021/DCM/adducts_DCM/add_ch3nch33 ch3nch33-f_6311+Gd_ch2cl2-1Morán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB3LYP6-311+G(D)-314.340664353; Eh
thumbnail.jpeg30-Sep-2021/DCM/adducts_DCM/add_ch3nh2 ch3nh2-sch2ch3_6311+Gd_ch2cl2Morán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB3LYP6-311+G(D)-573.474050186; Eh
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