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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	20-Jun-2025	/Mn_proj/Molecules/BrO3−/phonopy/disp_005 disp_005	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-336.68174254; eV
	29-Sep-2025	/Single-points/PBE-111kp/Ovac_surface-pristine-like h2o-ads-m-zro2	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:25:58) gamma-only	Single point	DFT	-	-1960.93956222; eV
	29-Sep-2025	/Single-points/PBE-111kp/Ovac_surface h2o-ads-zro2	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:25:58) gamma-only	Single point	DFT	-	-1219.12111023; eV
	29-Sep-2025	/Single-points/PBE-111kp/Ovac_subsurface h2o-dis-zno	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:25:58) gamma-only	Single point	DFT	-	-217.21549783; eV
	20-Jun-2025	/Mn_proj/Molecules/Br2/scan/phonopy/disp_001 disp_001	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-631.91743415; eV
	20-Jun-2025	/Mn_proj/Molecules/Br2/phonopy/disp_001 disp_001	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Jun 12 2024 14:44:05) gamma-only	Single point	DFT	-	-2.46393021; eV
	20-Jun-2025	/Mn_proj/Molecules/Br2/phonopy/disp_002 disp_002	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Jun 12 2024 14:44:05) gamma-only	Single point	DFT	-	-2.42997395; eV
	20-Jun-2025	/Mn_proj/Molecules/MnO4_2 MnO4_2	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-38.35931598; eV
	20-Jun-2025	/Mn_proj/Molecules/MnO4_1 MnO4_1	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-33.32960115; eV
	20-Jun-2025	/Mn_proj/Molecules/MnOH2 MnOH2	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-

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