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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg30-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
thumbnail.jpeg30-Sep-2021/DCM/adducts_DCM/add_ch3nch33 ch3nch33-sch3_6311+Gd_ch2cl2-3spMorán, LucíaGaussian; 16; AM64L-G16RevA.03Single point StructureRB3LYP6-311+G(D)-652.579136893; Eh
thumbnail.jpeg30-Sep-2021/DCM/adducts_DCM/add_ch3c6h5 ch3c6h5-sch3_6311+Gd_ch2cl2Morán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB3LYP6-311+G(D)-709.900109325; Eh
thumbnail.jpeg30-Sep-2021/DCM/adducts_DCM/add_ch3c6h5 ch3c6h5-cf3_6311+Gd_ch2cl2Morán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB3LYP6-311+G(D)-609.474389110; 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-sh_6311+Gd_ch2cl2Morán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB3LYP6-311+G(D)-670.591320151; 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-f_6311+Gd_ch2cl2Morán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB3LYP6-311+G(D)-371.661365983; Eh
thumbnail.jpeg30-Sep-2021/DCM/adducts_DCM/add_ch3c6h5 ch3c6h5-nh2_6311+Gd_ch2cl2-1Morán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB3LYP6-311+G(D)-327.673195461; 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
Results 6171-6180 of 6834 (Search time: 0.006 seconds).