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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg30-Sep-2021/Water/adducts_water/add_ch3nh2 ch3nh2-nh2_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB3LYP6-311+G(D)-
thumbnail.jpeg30-Sep-2021/Water/adducts_water/add_ch3nhcho ch3nhcho-nch33_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB3LYP6-311+G(D)-383.814078781; Eh
thumbnail.jpeg30-Sep-2021/Water/adducts_water/add_ch3nhcho ch3nhcho-c6h5_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB3LYP6-311+G(D)-441.039238162; Eh
thumbnail.jpeg30-Sep-2021/Water/adducts_water/add_ch3nhcho ch3nhcho-cf3_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB3LYP6-311+G(D)-547.118377023; Eh
thumbnail.jpeg30-Sep-2021/Water/adducts_water/add_ch3nhcho ch3nhcho-nh2_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB3LYP6-311+G(D)-265.326367446; Eh
thumbnail.jpeg30-Sep-2021/Water/adducts_water/add_ch3nhcho ch3nhcho-cl_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB3LYP6-311+G(D)-669.690903264; Eh
thumbnail.jpeg30-Sep-2021/Water/adducts_water/add_ch3nhcho ch3nhcho-cn_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB3LYP6-311+G(D)-302.273340573; Eh
thumbnail.jpeg30-Sep-2021/Water/adducts_water/add_ch3nhcho ch3nhcho-i_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB3LYP6-311+G* GENECP-220.863876443; Eh
thumbnail.jpeg30-Sep-2021/Water/adducts_water/add_ch3nhcho ch3nhcho-f_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB3LYP6-311+G(D)-309.312406868; Eh
thumbnail.jpeg30-Sep-2021/Water/adducts_water/add_ch3nhcho ch3nhcho-nhcho_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB3LYP6-311+G(D)-
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