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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg20-Nov-2021simnh2-zrcl5_aqMorán, LucíaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+G* SDD GENECP-2576.0452497; Eh
thumbnail.jpeg20-Nov-2021simnet2-antib3lypMorán, LucíaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31+G* GENECP-384.664749308; Eh
thumbnail.jpeg20-Nov-2021simnh2-pdph3Morán, LucíaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYP6-31+G* SDD GENECP-698.545399667; Eh
thumbnail.jpeg20-Nov-2021simnet2-anti-incl2Morán, LucíaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31+G* SDD GENECP-1306.87853508; Eh
thumbnail.jpeg20-Nov-2021simnet2-anti-oso3Morán, LucíaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31+G* SDD GENECP-700.368368251; Eh
thumbnail.jpeg20-Nov-2021simnet2-anti-incl2_aqMorán, LucíaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+G* SDD GENECP-1306.961421; Eh
thumbnail.jpeg20-Nov-2021simnet2-antib3lyp-vac_aqMorán, LucíaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+G* GENECP-384.6646445; Eh
thumbnail.jpeg20-Nov-2021simnh2-pdph3_aqMorán, LucíaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+G* SDD GENECP-698.5575774; Eh
thumbnail.jpeg20-Nov-2021imme2nme2-oso3_aqMorán, LucíaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+G* SDD GENECP-699.4879086; Eh
thumbnail.jpeg20-Nov-2021imme2nme2-pdph3Morán, LucíaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31+G* SDD GENECP-854.617210847; Eh
Results 6681-6690 of 9919 (Search time: 0.009 seconds).