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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg20-Nov-2021a124triaznme2-pdhph32_aqMorán, LucíaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+G* SDD GENECP-1135.6307676; Eh
thumbnail.jpeg20-Nov-2021a124triaznme2-incl2_aqMorán, LucíaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+G* SDD GENECP-1243.143164; Eh
thumbnail.jpeg20-Nov-2021a124triaznme2-zrcl5_aqMorán, LucíaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+G* SDD GENECP-2669.4927579; Eh
thumbnail.jpeg20-Nov-2021a124triaznme2-oso3_aqMorán, LucíaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+G* SDD GENECP-636.8316678; Eh
thumbnail.jpeg20-Nov-2021a124triaznme2-pdph3_aqMorán, LucíaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+G* SDD GENECP-792.0146388; Eh
thumbnail.jpeg20-Nov-2021a124triaznme2b3lyp_aqMorán, LucíaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+G* GENECP-320.858321; Eh
thumbnail.jpeg20-Nov-2021aimnme2-incl2_aqMorán, LucíaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+G* SDD GENECP-1227.1220754; Eh
thumbnail.jpeg20-Nov-2021aimnme2-zrcl5_aqMorán, LucíaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+G* SDD GENECP-2653.4517763; Eh
thumbnail.jpeg20-Nov-2021aimnme2b3lyp_aqMorán, LucíaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+G* GENECP-304.8015221; Eh
thumbnail.jpeg20-Nov-2021dpyim-incl2_aqMorán, LucíaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+G* SDD GENECP-1455.7607933; Eh
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