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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg20-Nov-2021nme3ZrCl5-corrMorán, LucíaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+G* SDD GENECP-2523.03164390; Eh
thumbnail.jpeg20-Nov-2021nh3incl2-corrMorán, LucíaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+G* SDD GENECP-978.704251164; Eh
thumbnail.jpeg20-Nov-2021nh3b3lypMorán, LucíaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+G* GENECP-56.5559866641; Eh
thumbnail.jpeg20-Nov-2021nme3pdhph32-corrMorán, LucíaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+G* SDD GENECP-989.160404601; Eh
thumbnail.jpeg20-Nov-2021nh3pdhph32-corrMorán, LucíaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+G* SDD GENECP-871.228769120; Eh
thumbnail.jpeg20-Nov-2021imnh2-incl2Morán, LucíaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+G* SDD GENECP-1148.39239174; Eh
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