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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg30-Sep-2021/DCM/adducts_DCM/add_ch3f ch3f-sh_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB3LYP6-311+G(D)-538.741124692; Eh
thumbnail.jpeg9-Dec-2021ch3nh3-sch3-ts_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G(D)-534.588225108; Eh
thumbnail.jpeg9-Dec-2021ch3nh3-seh-ts_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G(D)-2498.61497090; Eh
thumbnail.jpeg9-Dec-2021ch3nh3-oTs-ts_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G(D)-991.424128811; Eh
thumbnail.jpeg9-Dec-2021ch3nh3-br-ts_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G* GENECP-109.661540420; Eh
thumbnail.jpeg9-Dec-2021ch3cooch3-cl-ts_6311+Gd_aqMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G(D)-728.844207580; Eh
thumbnail.jpeg9-Dec-2021ch3cooch3-cf3-ts_6311+Gd_aqMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G(D)-606.290820161; Eh
thumbnail.jpeg9-Dec-2021ch3cooch3-nch33-ts_6311+Gd_aqMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G(D)-442.977838241; Eh
thumbnail.jpeg9-Dec-2021ch3cooch3-nh3-ts_6311+Gd_aqMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G(D)-325.025695108; Eh
thumbnail.jpeg9-Dec-2021ch3cooch3-nh2-ts_6311+Gd_aqMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G(D)-324.500929632; Eh
Results 1741-1750 of 2188 (Search time: 0.004 seconds).