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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg6-Nov-2020/Cluster-Fe-MOF-74 HSE03-13-OHMorales-Vidal, JordiGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUOHSE2PBESDD 6-31G** 6-31+G* GEN-3081.41083633; Eh
thumbnail.jpeg6-Nov-2020/Cluster-Fe-MOF-74 HSE03-13-OMorales-Vidal, JordiGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUOHSE2PBESDD 6-31G** 6-31+G* GEN-3080.74648537; Eh
thumbnail.jpeg6-Nov-2020/Cluster-Fe-MOF-74 HSE03-MOFMorales-Vidal, JordiGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUOHSE2PBESDD 6-31G** 6-31+G* GEN-3007.82745594; Eh
thumbnail.jpeg6-Nov-2020/Cluster-Fe-MOF-74 HSE03-OOHMorales-Vidal, JordiGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUOHSE2PBESDD 6-31G** 6-31+G* GEN-3158.82664795; Eh
thumbnail.jpeg6-Nov-2020/Cluster-Fe-MOF-74 HSE03-13-MOFMorales-Vidal, JordiGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUOHSE2PBESDD 6-31G** 6-31+G* GEN-3005.59757074; Eh
thumbnail.jpeg6-Nov-2020/Cluster-Fe-MOF-74 HSE03-13-OOHMorales-Vidal, JordiGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUOHSE2PBESDD 6-31G** 6-31+G* GEN-3156.52448308; Eh
thumbnail.jpeg6-Nov-2020/Cluster-Fe-MOF-74 HSE03-OHMorales-Vidal, JordiGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUOHSE2PBESDD 6-31G** 6-31+G* GEN-3083.67868784; Eh
thumbnail.jpeg6-Nov-2020/Cluster-Fe-MOF-74 HSE03-OMorales-Vidal, JordiGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUOHSE2PBESDD 6-31G** 6-31+G* GEN-3082.98950747; Eh
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