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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required30-Sep-2021/Water/TS_water ch3hcooo-oTs-ts_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G(D)-1199.36517412; Eh
Login required30-Sep-2021/Water/TS_water ch3c6h5-oh-ts_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G(D)-347.483310628; Eh
Login required30-Sep-2021/DCM/TS_DCM ch3cf3-cn-ts_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G(D)-470.573333271; Eh
Login required30-Sep-2021/DCM/TS_DCM ch3cn-sh-ts_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G(D)-531.679534526; Eh
Login required30-Sep-2021/Water/adducts_water/add_ch3sch3 ch3sch3-nhcho_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB3LYP6-311+G(D)-
Login required30-Sep-2021/DCM/TS_DCM ch3ash2-br-ts_6311+Gd_ch2cl2Morán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G* GENECP-2290.27024259; Eh
thumbnail.jpeg20-Nov-2021a124triaznme2-pdhph32_aqMorán, LucíaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+G* SDD GENECP-1135.6307676; Eh
thumbnail.jpeg20-Nov-2021a124triaznme2-incl2_aqMorán, LucíaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+G* SDD GENECP-1243.143164; Eh
thumbnail.jpeg20-Nov-2021a124triaznme2-zrcl5_aqMorán, LucíaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+G* SDD GENECP-2669.4927579; Eh
thumbnail.jpeg20-Nov-2021a124triaznme2-pdph3Morán, LucíaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31+G* SDD GENECP-792.004024346; Eh
Results 6191-6200 of 6659 (Search time: 0.006 seconds).