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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg9-Dec-2021ch3nh3-oh-ts_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G(D)-172.290881436; Eh
thumbnail.jpeg9-Dec-2021ch3nh3-ooh-ts_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G(D)-247.456158845; Eh
thumbnail.jpeg13-Sep-2023tame4_H2eta1_aqMorán, LucíaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+G* SDD GENECP-217.673038118; Eh
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-2023nbnh24-H2eta1_vacuumMorán, LucíaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31+G* SDD GENECP-281.883825414; Eh
thumbnail.jpeg13-Sep-2023mosh3_H2eta1_vacuumMorán, LucíaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31+G* SDD GENECP-1265.51951634; Eh
thumbnail.jpeg13-Sep-2023ircoph32_H2eta1_vacuum1Morán, LucíaGaussian; 09; EM64L-G09RevD.01Geometry optimization StructureRB3LYP6-31+G* SDD GENECP-905.021697627; Eh
thumbnail.jpeg13-Sep-2023fecl2-H2eta1_vacuumMorán, LucíaGaussian; 09; EM64L-G09RevD.01Geometry optimization StructureUB3LYP6-31+G* SDD GENECP-1045.23427025; Eh
thumbnail.jpeg13-Sep-2023incl2_H2eta1_vacuumMorán, LucíaGaussian; 09; EM64L-G09RevD.01Single point MinimumRB3LYP6-31+G* SDD GENECP-923.237376267; Eh
Results 1881-1890 of 2188 (Search time: 0.004 seconds).