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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg20-Nov-2021incl2b3lypMorán, LucíaGaussian; 09; EM64L-G09RevD.01Single point MinimumRB3LYP6-31+G* SDD GENECP-922.057051273; Eh
thumbnail.jpeg20-Nov-2021PdPH3b3lypMorán, LucíaGaussian; 09; EM64L-G09RevD.01Single point MinimumRB3LYP6-31+G* SDD GENECP-471.084751307; Eh
thumbnail.jpeg13-Sep-2023incl2_H2eta1_vacuumMorán, LucíaGaussian; 09; EM64L-G09RevD.01Single point MinimumRB3LYP6-31+G* SDD GENECP-923.237376267; Eh
thumbnail.jpeg13-Sep-2023h2_eta1_incl2_aqMorán, LucíaGaussian; 09; EM64L-G09RevD.01Single point MinimumRB3LYP6-31+G* SDD GENECP-923.237376267; Eh
thumbnail.jpeg13-Sep-2023h2_aqMorán, LucíaGaussian; 09; EM64L-G09RevD.01Single point MinimumRB3LYP6-31+G* GENECP-1.17556854684; Eh
thumbnail.jpeg13-Sep-2023h2_eta1_incl2_vacuumMorán, LucíaGaussian; 09; EM64L-G09RevD.01Single point MinimumRB3LYP6-31+G* SDD GENECP-923.237376267; Eh
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