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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg6-Nov-2020/Cluster-Fe-MOF-74 HSE03-13-OH-freqMorales, JordiGaussian; 09; EM64L-G09RevD.01Single point MinimumUOHSE2PBESDD 6-31G** 6-31+G* GEN-3081.41083631; Eh
thumbnail.jpeg6-Nov-2020/Cluster-Fe-MOF-74 HSE03-13-O-freqMorales, JordiGaussian; 09; EM64L-G09RevD.01Single point MinimumUOHSE2PBESDD 6-31G** 6-31+G* GEN-3080.74648537; Eh
thumbnail.jpeg6-Nov-2020/Cluster-Fe-MOF-74 B3LYP-15-OH-freqMorales, JordiGaussian; 09; EM64L-G09RevD.01Single point MinimumUB3LYPSDD 6-31G** 6-31+G* GEN-3080.12809963; Eh
thumbnail.jpeg6-Nov-2020/Cluster-Fe-MOF-74 B3LYP-15-MOF-freqMorales, JordiGaussian; 09; EM64L-G09RevD.01Single point MinimumUB3LYPSDD 6-31G** 6-31+G* GEN-3004.33265666; Eh
thumbnail.jpeg6-Nov-2020/Cluster-Fe-MOF-74 M06-L-H₂-freqMorales, JordiGaussian; 09; EM64L-G09RevD.01Single point MinimumRM06L6-31G** GEN-1.17026402278; Eh
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 HSE03-13-H₂-freqMorales, JordiGaussian; 09; EM64L-G09RevD.01Single point MinimumROHSE2PBE6-31G** GEN-1.17693814700; Eh
thumbnail.jpeg6-Nov-2020/Cluster-Fe-MOF-74 B3LYP-15-H₂-freqMorales, JordiGaussian; 09; EM64L-G09RevD.01Single point MinimumRB3LYP6-31G** GEN-1.17399895401; Eh
thumbnail.jpeg6-Nov-2020/Cluster-Fe-MOF-74 B3LYP-H₂-freqMorales, JordiGaussian; 09; EM64L-G09RevD.01Single point MinimumRB3LYP6-31G** GEN-1.17853936907; Eh
thumbnail.jpeg6-Nov-2020/Cluster-Fe-MOF-74 HSE03-H₂-freqMorales, JordiGaussian; 09; EM64L-G09RevD.01Single point MinimumROHSE2PBE6-31G** GEN-1.18761439561; Eh
Results 1-10 of 29 (Search time: 0.001 seconds).