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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required28-Nov-2020/Complex_(O) Co-O_Complex_(O)_Hegner, Franziska SimoneGaussian; 09; EM64L-G09RevD.01Single point MinimumUTPSShDEF2TZVP DEF2SVP GEN-3651.82179956; Eh
Login required28-Nov-2020/Complex_(R) Co-OOH_Complex_(R)_Hegner, Franziska SimoneGaussian; 09; EM64L-G09RevD.01Single point MinimumUTPSShDEF2TZVP DEF2SVP GEN-3727.78889657; Eh
Login required28-Nov-2020/Complex_(R) Co-Cl_Complex_(R)_Hegner, Franziska SimoneGaussian; 09; EM64L-G09RevD.01Single point MinimumUTPSShDEF2TZVP DEF2SVP GEN-4037.03517447; Eh
Login required28-Nov-2020/Complex_(R) Co-vac_Complex_(R)Hegner, Franziska SimoneGaussian; 09; EM64L-G09RevD.01Single point MinimumUTPSShDEF2TZVP DEF2SVP GEN-3576.96975056; Eh
Login required28-Nov-2020/Complex_(O) Co-vac_Complex_(O)Hegner, Franziska SimoneGaussian; 09; EM64L-G09RevD.01Single point MinimumUTPSShDEF2TZVP DEF2SVP GEN-3576.76254615; Eh
Login required28-Nov-2020/Complex_(R) Co-O_Complex_(R)_Hegner, Franziska SimoneGaussian; 09; EM64L-G09RevD.01Single point MinimumUTPSShDEF2TZVP DEF2SVP GEN-3652.03177356; Eh
Login required28-Nov-2020/Complex_(O) Co-Cl_Complex_(O)_Hegner, Franziska SimoneGaussian; 09; EM64L-G09RevD.01Single point MinimumUTPSShDEF2TZVP DEF2SVP GEN-4036.82574094; Eh
Login required28-Nov-2020/Complex_(O) Co-OH_Complex_(O)Hegner, Franziska SimoneGaussian; 09; EM64L-G09RevD.01Single point MinimumUTPSShDEF2TZVP DEF2SVP GEN-3652.49479251; Eh
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
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