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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg5-Dec-2020/Pristine-Fe-MOF-74 B-AFM-DOSMorales-Vidal, Jordivasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complexSingle pointDFT--1210.42341291; eV
thumbnail.jpeg5-Dec-2020/Defective-Fe-MOF-74 C-DOSMorales-Vidal, Jordivasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complexSingle pointDFT--2371.12117851; eV
thumbnail.jpeg5-Dec-2020/Defective-Fe-MOF-74 D-DOSMorales-Vidal, Jordivasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complexSingle pointDFT--2370.99766971; eV
thumbnail.jpeg6-Nov-2020H₂O-solvMorales-Vidal, Jordivasp; 5.3.3; 18Dez12 (build Jun 22 2017 15:26:47) complexSingle pointDFT--14.52171226; eV
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