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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg20-Nov-2021imme2nme2-zrcl5Morán, LucíaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31+G* SDD GENECP-2732.01707781; Eh
thumbnail.jpeg20-Nov-2021simnet2-anti-pdph3_aqMorán, LucíaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+G* SDD GENECP-855.8248371; Eh
thumbnail.jpeg20-Nov-2021pyrazc3nh2-pdhph32_aqMorán, LucíaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+G* SDD GENECP-1040.9252861; Eh
thumbnail.jpeg20-Nov-2021simnh2-zrcl5Morán, LucíaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31+G* SDD GENECP-2575.95572973; Eh
thumbnail.jpeg20-Nov-2021simnh2-incl2_aqMorán, LucíaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+G* SDD GENECP-1149.6914714; Eh
thumbnail.jpeg20-Nov-2021simnh2b3lyp_aqMorán, LucíaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+G* GENECP-227.4008576; Eh
thumbnail.jpeg20-Nov-2021pyc4-3-5-me2nh-incl2_aqMorán, LucíaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+G* SDD GENECP-1249.1895566; Eh
thumbnail.jpeg20-Nov-2021simnet2-anti-oso3_aqMorán, LucíaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+G* SDD GENECP-700.6524973; Eh
thumbnail.jpeg20-Nov-2021pyrazc3nh2-zrcl5_aqMorán, LucíaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+G* SDD GENECP-2574.7941194; Eh
thumbnail.jpeg20-Nov-2021pyrazc3nh2-zrcl5Morán, LucíaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31+G* SDD GENECP-2574.69557427; Eh
Results 1-10 of 467 (Search time: 0.001 seconds).