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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg30-Sep-2021/Water/adducts_water/add_ch3oTs ch3Ts-Ts_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB3LYP6-311+G(D)-1830.00642927; Eh
thumbnail.jpeg30-Sep-2021/Water/adducts_water/add_ch3oTs ch3oTs-cf3_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB3LYP6-311+G(D)-1272.69865414; Eh
thumbnail.jpeg30-Sep-2021/Water/adducts_water/add_ch3och2ch3 ch3och2ch3-cn_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB3LYP6-311+G(D)-287.396510980; Eh
thumbnail.jpeg30-Sep-2021/Water/adducts_water/add_ch3oh ch3oh-och2ch3_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB3LYP6-311+G(D)-270.366981757; Eh
thumbnail.jpeg30-Sep-2021/Water/adducts_water/add_ch3oh ch3oh-br_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB3LYP6-311+G* GENECP-129.112518794; Eh
thumbnail.jpeg30-Sep-2021/Water/adducts_water/add_ch3i ch3i-cf3_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB3LYP6-311+G* GENECP-389.151085872; Eh
thumbnail.jpeg30-Sep-2021/Water/adducts_water/add_ch3oh ch3oh-nch33_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB3LYP6-311+G(D)-290.295827514; Eh
thumbnail.jpeg30-Sep-2021/Water/adducts_water/add_ch3i ch3i-f_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB3LYP6-311+G* GENECP-151.343751035; Eh
thumbnail.jpeg30-Sep-2021/Water/adducts_water/add_ch3i ch3i-och2ch3_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB3LYP6-311+G* GENECP-205.918070756; Eh
thumbnail.jpeg30-Sep-2021/Water/adducts_water/add_ch3i ch3i-c6h5_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB3LYP6-311+G* GENECP-283.070712650; Eh
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