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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg9-Aug-2020double-s2-opt-freqFondevila, Adiran J. De AguirreGaussian; 16; AM64L-G16RevA.03Single point MinimumONIOM; gaussian--mm; UFFDUMMY MIXED-
thumbnail.jpeg20-Nov-2021PdPH3b3lypMorán, LucíaGaussian; 09; EM64L-G09RevD.01Single point MinimumRB3LYP6-31+G* SDD GENECP-471.084751307; Eh
thumbnail.jpeg20-Nov-2021incl2b3lypMorán, LucíaGaussian; 09; EM64L-G09RevD.01Single point MinimumRB3LYP6-31+G* SDD GENECP-922.057051273; Eh
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