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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg26-Dec-2022/mechanism_and_profile/I4 I4-2_SPPérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYPCC-PVTZ AUG-CC-PVTZ GENECP-1919.3790247; Eh
thumbnail.jpeg26-Dec-2022/other_bases/DABCO DABCO-proS-2-lowestPérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYP6-31G(D) LANL2DZ GENECP-2856.85698390; Eh
thumbnail.jpeg26-Dec-2022/mechanism_and_profile/I4 I4-4-lowest_SPPérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYPCC-PVTZ AUG-CC-PVTZ GENECP-1919.3812859; Eh
thumbnail.jpeg26-Dec-2022/other_bases/DABCO DABCO-proS-2-lowest_SPPérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYPCC-PVTZ AUG-CC-PVTZ GENECP-2857.766375; Eh
thumbnail.jpeg26-Feb-2024ch3h2o-OTf-ts_6311+Gd_ch2cl2Morán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G(D)-1077.96987198; Eh
thumbnail.jpeg26-Feb-2024ch3c6h4ome-oTf-ts_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G(D)-1347.85201137; Eh
thumbnail.jpeg26-Feb-2024ch3ph3-OTf-ts_6311+Gd_ch2cl2Morán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G(D)-1344.68589409; Eh
thumbnail.jpeg26-Feb-2024ch3nch-oTf-ts_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G(D)-1094.96760277; Eh
thumbnail.jpeg26-Dec-2022/other_bases/TEA TEA-proR-1-lowestPérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYP6-31G(D) LANL2DZ GENECP-2803.94320669; Eh
thumbnail.jpeg26-Dec-2022/other_bases/TEA TEA-proR-1-lowest_SPPérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYPCC-PVTZ AUG-CC-PVTZ GENECP-2804.8412866; Eh
Results 6181-6190 of 15345 (Search time: 0.006 seconds).