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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg26-Dec-2022/mechanism_and_profile/TS3 TS3rPérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYP6-31G(D) LANL2DZ GENECP-2882.58336425; Eh
thumbnail.jpeg26-Dec-2022/mechanism_and_profile/TS3 TS3s_SPPérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYPCC-PVTZ AUG-CC-PVTZ GENECP-2883.5048972; Eh
thumbnail.jpeg26-Dec-2022/mechanism_and_profile/TS3 TS3sPérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYP6-31G(D) LANL2DZ GENECP-2882.57410746; Eh
thumbnail.jpeg26-Dec-2022/mechanism_and_profile/I3 I3-1-lowestPérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G(D) LANL2DZ GENECP-1918.73698598; Eh
thumbnail.jpeg26-Dec-2022/mechanism_and_profile/I3 I3-1-lowest_SPPérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYPCC-PVTZ AUG-CC-PVTZ GENECP-1919.3986985; Eh
thumbnail.jpeg26-Feb-2024ch3h2o-i-ts_6311+Gd_ch2cl2Morán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G* GENECP-127.734600141; Eh
thumbnail.jpeg26-Feb-2024ch3i-nch-ts_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB3LYP6-311+G* GENECP-144.757328238; Eh
thumbnail.jpeg26-Feb-2024ch3i-s-ts_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G* GENECP-449.716247513; Eh
thumbnail.jpeg26-Dec-2022/mechanism_and_profile/I3 I3-2Pérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G(D) LANL2DZ GENECP-1918.73688109; Eh
thumbnail.jpeg26-Dec-2022/mechanism_and_profile/I3 I3-2_SPPérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYPCC-PVTZ AUG-CC-PVTZ GENECP-1919.3984802; Eh
Results 6161-6170 of 15270 (Search time: 0.005 seconds).