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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required30-Sep-2021/DCM/adducts_DCM/add_ch3c6h5 ch3c6h5-sch2ch3_6311+Gd_ch2cl2Morán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB3LYP6-311+G(D)-749.227949790; Eh
Login required30-Sep-2021/Water/adducts_water/add_ch3och2ch3 ch3och2ch3-cf3_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB3LYP6-311+G(D)-532.242244912; Eh
Login required30-Sep-2021/DCM/adducts_DCM/add_ch3cf3 ch3cf3-nhcho_6311+Gd_ch2cl2spMorán, LucíaGaussian; 16; AM64L-G16RevA.03Single point StructureRB3LYP6-311+G(D)-547.145441504; Eh
Login required30-Sep-2021/Water/adducts_water/add_ch3cl ch3cl-sch3_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB3LYP6-311+G(D)-938.412698138; Eh
Login required30-Sep-2021/Water/adducts_water/add_ch3nch33 ch3nch33-oh_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB3LYP6-311+G(D)-290.286605309; Eh
Login required30-Sep-2021/DCM/TS_DCM ch3hcooo-och2ch3-ts_6311+Gd_ch2cl2Morán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G(D)-458.843876464; Eh
Login required30-Sep-2021/DCM/adducts_DCM/add_ch3och3 ch3och3-sh_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB3LYP6-311+G(D)-554.023735746; Eh
Login required30-Sep-2021/DCM/ch3-EG_LG_DCM ch3ooh_6311+Gd_ch2cl2Morán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB3LYP6-311+G(D)-190.918597299; Eh
Login required30-Sep-2021/Water/TS_water ch3ph2-c6h5-ts_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G(D)-614.194910779; Eh
Login required30-Sep-2021/DCM/adducts_DCM/add_ch3oTs ch3oTs-cf3_6311+Gd_ch2cl2Morán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB3LYP6-311+G(D)-1272.69496361; Eh
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