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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg30-Sep-2021/DCM/TS_DCM ch3f-f-ts_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Single point TS-6-311+G(D)-239.784076289; Eh
thumbnail.jpeg20-Nov-2021ph3pdhph32-corrMorán, LucíaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+G* SDD GENECP-1157.80566011; Eh
thumbnail.jpeg20-Nov-2021ph3b3lypMorán, LucíaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+G* GENECP-343.139808378; Eh
thumbnail.jpeg20-Nov-2021nh3pdhph32-corrMorán, LucíaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+G* SDD GENECP-871.228769120; 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-2021ph3incl2-corrMorán, LucíaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+G* SDD GENECP-1265.26519555; Eh
thumbnail.jpeg20-Nov-2021ph3pdph3-corrMorán, LucíaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+G* SDD GENECP-814.273678073; Eh
thumbnail.jpeg20-Nov-2021nme3pdhph32-corrMorán, LucíaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+G* SDD GENECP-989.160404601; Eh
thumbnail.jpeg20-Nov-2021nme3ZrCl5-corrMorán, LucíaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+G* SDD GENECP-2523.03164390; Eh
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