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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg6-Nov-2020/Defective-Fe-MOF-74/Additional-Defective-Fe-MOF-74 C-C-OOH-bMorales-Vidal, Jordivasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Nov 08 2017 09:05:29) complexGeometry optimizationDFT--2385.26110110; eV
thumbnail.jpeg6-Nov-2020/Defective-Fe-MOF-74/Additional-Defective-Fe-MOF-74 C-C-OOH-tMorales-Vidal, Jordivasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Nov 08 2017 09:05:29) complexGeometry optimizationDFT--2385.41818694; eV
thumbnail.jpeg6-Nov-2020/Pristine-Co-MOF-74 A-OH-H₂O-AFMMorales-Vidal, Jordivasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Nov 08 2017 09:05:29) complexGeometry optimizationDFT--1207.52817545; eV
thumbnail.jpeg6-Nov-2020/Pristine-Co-MOF-74 A-OH-FMMorales-Vidal, Jordivasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 14 2019 09:46:23) complexGeometry optimizationDFT--1192.61249307; eV
thumbnail.jpeg6-Nov-2020/Defective-Fe-MOF-74/Additional-Defective-Fe-MOF-74 C-A-OOH-tMorales-Vidal, Jordivasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--2385.61175070; eV
thumbnail.jpeg6-Nov-2020/Defective-Fe-MOF-74 C-B-OOH-bMorales-Vidal, Jordivasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Nov 08 2017 09:05:29) complexGeometry optimizationDFT--2385.49486349; eV
thumbnail.jpeg6-Nov-2020/Pristine-Fe-MOF-74 B-OOH-AFMMorales-Vidal, Jordivasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--1224.68273200; eV
thumbnail.jpeg6-Nov-2020/Pristine-Co-MOF-74 A-OH-AFMMorales-Vidal, Jordivasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--1192.66458220; eV
thumbnail.jpeg6-Nov-2020/Defective-Fe-MOF-74/Additional-Defective-Fe-MOF-74 C-A-OOH-bMorales-Vidal, Jordivasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--2385.44836545; eV
thumbnail.jpeg6-Nov-2020/Defective-Fe-MOF-74/Additional-Defective-Fe-MOF-74 C-C-O-tMorales-Vidal, Jordivasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--2375.17244503; eV
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