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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
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
thumbnail.jpeg30-Sep-2021/Water/TS_water ch3f-i-ts_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G* GENECP-151.327314453; Eh
thumbnail.jpeg30-Sep-2021/Water/TS_water ch3och3-i-ts_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G* GENECP-166.577376179; Eh
thumbnail.jpeg30-Sep-2021/Water/TS_water ch3oh-i-ts_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G* GENECP-127.271629792; Eh
thumbnail.jpeg30-Sep-2021/Water/TS_water ch3sch3-i-ts_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G* GENECP-489.571622076; Eh
thumbnail.jpeg30-Sep-2021/Water/TS_water ch3sh-i-ts_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G* GENECP-450.258930634; Eh
thumbnail.jpeg30-Sep-2021/Water/TS_water ch3i-br-ts_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G* GENECP-64.6510929443; Eh
thumbnail.jpeg30-Sep-2021/Water/TS_water ch3i-cl-ts_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G* GENECP-511.703765086; Eh
thumbnail.jpeg30-Sep-2021/Water/TS_water ch3i-nh2-ts_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G* GENECP-107.353389178; Eh
Results 31-40 of 1857 (Search time: 0.001 seconds).