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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg9-Dec-2021ch3i-cl-ts_6311+Gd_acetonitrileMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G* GENECP-511.704863978; Eh
thumbnail.jpeg20-Nov-2021bimnme2-pdph3Morán, LucíaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31+G* SDD GENECP-929.632295747; Eh
thumbnail.jpeg20-Nov-2021aimnme2-zrcl5_aqMorán, LucíaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+G* SDD GENECP-2653.4517763; Eh
thumbnail.jpeg20-Nov-2021dpyim-pdhph32Morán, LucíaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31+G* SDD GENECP-1348.17170193; Eh
thumbnail.jpeg20-Nov-2021dpyim-pdph3Morán, LucíaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31+G* SDD GENECP-1004.60794896; Eh
thumbnail.jpeg20-Nov-2021imnet2-pdhph32Morán, LucíaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31+G* SDD GENECP-1198.17494220; Eh
thumbnail.jpeg20-Nov-2021imno22nme2-oso3Morán, LucíaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31+G* SDD GENECP-1029.44279300; Eh
thumbnail.jpeg20-Nov-2021spmnme2-oso3Morán, LucíaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31+G* SDD GENECP-661.046721600; Eh
thumbnail.jpeg20-Nov-2021imnet2-pdhph32_aqMorán, LucíaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+G* SDD GENECP-1198.2407132; Eh
thumbnail.jpeg20-Nov-2021imnpri2-zrcl5_aqMorán, LucíaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+G* SDD GENECP-2810.7406617; Eh
Results 6081-6090 of 7358 (Search time: 0.008 seconds).