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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	6-Nov-2020	/Defective-Fe-MOF-74 C-B-t-freq	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Nov 08 2017 09:05:29) complex	Frequencies	DFT	-	-2371.11164106; eV
	6-Nov-2020	/Defective-Fe-MOF-74 C	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 14 2019 09:58:27) gamma-only	Geometry optimization	DFT	-	-2371.11172320; eV
	6-Nov-2020	H₂O-solv	Morales-Vidal, Jordi	vasp; 5.3.3; 18Dez12 (build Jun 22 2017 15:26:47) complex	Single point	DFT	-	-14.52171226; eV
	29-Nov-2021	/Profiles/Au-In2O3 Au-In₂O₃-i32	Morales-Vidal, Jordi	vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex	Geometry optimization	DFT	-	-1113.78081160; eV
	29-Nov-2021	/Lattice-incorporations/Bulk Ni-Oh	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-446.01544587; eV
	29-Nov-2021	/Lattice-incorporations/Bulk Pt-Oh	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-446.70482005; eV
	29-Nov-2021	/Lattice-incorporations/Subsurface Ag-4	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-1090.42844472; eV
	29-Nov-2021	/Lattice-incorporations/Surface Pt-1	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-1095.95638435; eV
	29-Nov-2021	/References/Bulk-metals Au-bulk	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-12.88339963; eV
	29-Nov-2021	/References/Bulk-metals Co-bulk	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-14.07153685; eV

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