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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg30-Sep-2021/Water/TS_water ch3i-i-ts_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G* GENECP-62.8727423194; Eh
thumbnail.jpeg30-Sep-2021/Water/TS_water ch3sch2ch3-seh-ts_6311+Gd_ch2cl2_aqMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G(D)-2919.63383011; Eh
thumbnail.jpeg30-Sep-2021/Water/TS_water ch3seh-nh2-ts_6311+Gd_ch2cl2_aqMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G(D)-2498.09321038; Eh
thumbnail.jpeg30-Sep-2021/Water/TS_water ch3seh-Ts-ts_6311+Gd_ch2cl2_aqMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G(D)-3337.14552809; Eh
thumbnail.jpeg30-Sep-2021/Water/TS_water ch3ooh-seh-ts_6311+Gd_ch2cl2_aqMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G(D)-2593.17251904; Eh
thumbnail.jpeg30-Sep-2021/Water/TS_water ch3c6h5-seh-ts_6311+Gd_ch2cl2_aqMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G(D)-2673.80573091; Eh
thumbnail.jpeg30-Sep-2021/Water/TS_water ch3hcooo-seh-ts_6311+Gd_ch2cl2_aqMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G(D)-2706.55558158; Eh
thumbnail.jpeg30-Sep-2021/Water/TS_water ch3nch33-seh-ts_6311+Gd_ch2cl2_aqMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G(D)-2616.56769088; Eh
thumbnail.jpeg30-Sep-2021/Water/TS_water ch3nhcho-seh-ts_6311+Gd_ch2cl2_aqMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G(D)-2611.51128161; Eh
thumbnail.jpeg30-Sep-2021/Water/TS_water ch3cf3-seh-ts_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G(D)-2779.88183786; Eh
Results 51-60 of 2101 (Search time: 0.002 seconds).