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Showing results 8680 to 8699 of 62969 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required26-Feb-2024ch3cooch3-h-ts_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G(D)-269.048775362; Eh
thumbnail.jpeg9-Dec-2021ch3cooch3-hcooo-ts_6311+Gd_aqMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G(D)-532.966286667; Eh
thumbnail.jpeg9-Dec-2021ch3cooch3-hcooo-ts_6311+Gd_ch2cl2Morán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G(D)-532.944261936; Eh
thumbnail.jpeg9-Dec-2021ch3cooch3-i-ts_6311+Gd_aqMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G* GENECP-280.010559682; Eh
thumbnail.jpeg9-Dec-2021ch3cooch3-i-ts_6311+Gd_ch2cl2Morán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G* GENECP-279.996142720; 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-nch33-ts_6311+Gd_ch2cl2Morán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G(D)-442.978347944; Eh
thumbnail.jpeg9-Dec-2021ch3cooch3-nh2-ts_6311+Gd_aqMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G(D)-324.500929632; Eh
thumbnail.jpeg9-Dec-2021ch3cooch3-nh2-ts_6311+Gd_ch2cl2Morán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G(D)-324.488042682; 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-nh3-ts_6311+Gd_ch2cl2Morán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G(D)-325.019783392; Eh
thumbnail.jpeg9-Dec-2021ch3cooch3-nhcho-ts_6311+Gd_aqMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G(D)-437.919783280; Eh
thumbnail.jpeg9-Dec-2021ch3cooch3-nhcho-ts_6311+Gd_ch2cl2Morán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G(D)-437.899061397; Eh
Login required26-Feb-2024ch3cooch3-o-ts_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G(D)-343.812283202; Eh
thumbnail.jpeg9-Dec-2021ch3cooch3-och2ch3-ts_6311+Gd_aqMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G(D)-423.053534642; Eh
thumbnail.jpeg9-Dec-2021ch3cooch3-och2ch3-ts_6311+Gd_ch2cl2Morán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G(D)-423.032401716; Eh
thumbnail.jpeg9-Dec-2021ch3cooch3-och3-ts_6311+Gd_aqMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G(D)-383.724865265; Eh
thumbnail.jpeg9-Dec-2021ch3cooch3-och3-ts_6311+Gd_ch2cl2Morán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G(D)-383.701843675; Eh
thumbnail.jpeg9-Dec-2021ch3cooch3-oh-ts_6311+Gd_aqMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G(D)-344.417653339; Eh
thumbnail.jpeg9-Dec-2021ch3cooch3-oh-ts_6311+Gd_ch2cl2Morán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G(D)-344.388334990; Eh