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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg30-Sep-2021/Water/adducts_water/add_ch3oh ch3oh-och3_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization StructureRB3LYP6-311+G(D)-231.037752072; Eh
thumbnail.jpeg30-Sep-2021/Water/adducts_water/add_ch3och3 ch3och3-sch2ch3_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization StructureRB3LYP6-311+G(D)-
thumbnail.jpeg30-Sep-2021/Water/adducts_water/add_ch3och3 ch3och3-sch3_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization StructureRB3LYP6-311+G(D)-
thumbnail.jpeg30-Sep-2021/Water/adducts_water/add_ch3och2ch3 ch3och2ch3-sch2ch3_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization StructureRB3LYP6-311+G(D)-
thumbnail.jpeg30-Sep-2021/Water/adducts_water/add_ch3och2ch3 ch3och2ch3-sch3_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization StructureRB3LYP6-311+G(D)-
thumbnail.jpeg13-Sep-2023zrcl5-H2eta1_vacuum1Morán, LucíaGaussian; 09; EM64L-G09RevD.01Geometry optimization StructureRB3LYP6-31+G* SDD GENECP-2349.66847119; Eh
thumbnail.jpeg13-Sep-2023ticl3_H2eta1_vacuum1Morán, LucíaGaussian; 09; EM64L-G09RevD.01Geometry optimization StructureRB3LYP6-31+G* SDD GENECP-1439.97325660; Eh
thumbnail.jpeg13-Sep-2023ircoph32_H2eta1_vacuum1Morán, LucíaGaussian; 09; EM64L-G09RevD.01Geometry optimization StructureRB3LYP6-31+G* SDD GENECP-905.021697627; Eh
thumbnail.jpeg13-Sep-2023tame4_H2eta1_vacMorán, LucíaGaussian; 09; EM64L-G09RevD.01Geometry optimization StructureRB3LYP6-31+G* SDD GENECP-217.537537623; Eh
thumbnail.jpeg13-Sep-2023conh35-H2eta1_vacuum1Morán, LucíaGaussian; 09; EM64L-G09RevD.01Geometry optimization StructureRB3LYP6-31+G* SDD GENECP-428.818752865; Eh
Results 1-10 of 16 (Search time: 0.002 seconds).