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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg6-Nov-2020/Cluster-Fe-MOF-74 PBE-H₂-freqMorales, JordiGaussian; 09; EM64L-G09RevD.01Single point MinimumRPBEPBE6-31G** GEN-1.16466336002; Eh
thumbnail.jpeg6-Nov-2020/Cluster-Fe-MOF-74 PBE-H₂O-freqMorales, JordiGaussian; 09; EM64L-G09RevD.01Single point MinimumRPBEPBE6-31G** 6-31+G* GEN-76.3475850978; Eh
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