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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg30-Sep-2021/Water/TS_water ch3ooh-c6h5-ts_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G(D)-422.648516415; Eh
thumbnail.jpeg30-Sep-2021/Water/TS_water ch3ooh-cf3-ts_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G(D)-528.725445019; Eh
thumbnail.jpeg30-Sep-2021/Water/TS_water ch3ooh-cn-ts_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G(D)-283.863055056; Eh
thumbnail.jpeg30-Sep-2021/Water/TS_water ch3ooh-nch3-ts_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G(D)-365.409457616; Eh
thumbnail.jpeg30-Sep-2021/Water/TS_water ch3ooh-nh2-ts_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G(D)-246.935731535; Eh
thumbnail.jpeg30-Sep-2021/Water/TS_water ch3ooh-nh3-ts_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G(D)-247.456192865; Eh
thumbnail.jpeg30-Sep-2021/Water/TS_water ch3cf3-cl-ts_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G(D)-837.977447675; Eh
thumbnail.jpeg30-Sep-2021/Water/TS_water ch3cf3-cn-ts_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G(D)-470.573452349; Eh
thumbnail.jpeg30-Sep-2021/Water/TS_water ch3cf3-f-ts_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G(D)-477.610011659; Eh
thumbnail.jpeg30-Sep-2021/Water/TS_water ch3cf3-och3-ts_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G(D)-492.868901498; Eh
Results 11-20 of 2101 (Search time: 0.003 seconds).