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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg30-Sep-2021/DCM/adducts_DCM/add_ch3cl ch3cl-ncch3_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumUB3LYP6-311+G(D)-674.687581147; Eh
thumbnail.jpeg30-Sep-2021/DCM/adducts_DCM/add_ch3nch33 ch3nch33-c6h5_6311+Gd_ch2cl2_1Morán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumUB3LYP6-311+G(D)-446.076220060; 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/Water/adducts_water/add_ch3cn ch3cn-nch33_6311+Gd-1Morán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumUB3LYP6-311+G(D)-307.331640764; Eh
thumbnail.jpeg30-Sep-2021/DCM/adducts_DCM/add_ch3f ch3f-ncch3_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumUB3LYP6-311+G(D)-314.332436355; Eh
thumbnail.jpeg30-Sep-2021/Water/adducts_water/add_ch3nch33 ch3nch33-nch33_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumUB3LYP6-311+G(D)-388.860783977; Eh
thumbnail.jpeg30-Sep-2021/Water/adducts_water/add_ch3nch33 ch3nch33-c6h5_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumUB3LYP6-311+G(D)-446.071535538; Eh
thumbnail.jpeg30-Sep-2021/Water/adducts_water/add_ch3cn ch3cn-nch33_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumUB3LYP6-311+G(D)-307.140907243; Eh
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