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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	7-Mar-2023	/110/nd/pris/adsorbates on_ce-no	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-586.16991425; eV
	7-Mar-2023	/100_4o/nd/sac_ads/mos3 only_sac-hse_sp	Geiger, Julian	vasp; 6.3.0; 20Jan22 (build Feb 3 2022 13:49:53) gamma-only	N/A	DFT	-	-1017.54712031; eV
	14-Feb-2022	/intermediates-electric-field Cu(100)-6x6-2CuCO3-1-E-n03	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-604.39620511; eV
	14-Feb-2022	/intermediates-electric-field Cu(100)-6x6-CuHCO3-E-p03	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-565.61492933; eV
	14-Feb-2022	/intermediates-electric-field Cu(111)-6x6-Clean-E-n01	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-514.51889922; eV
	14-Feb-2022	/intermediates-electric-field Cu(111)-6x6-O-E-p01	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-521.07404460; eV
	14-Feb-2022	/intermediates-electric-field Cu(111)-6x6-H-E-00	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-518.09207488; eV
	7-Mar-2023	/100_4o/surf_vac/neighboring/mos3 adsorbates-on_mn-nh3	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-875.82888035; eV
	7-Mar-2023	/100_4o/surf_vac/neighboring/mos3 adsorbates-on_vac-hno-o	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-874.01581213; eV
	7-Mar-2023	/100_4o/surf_vac/metal_coord/vac1 vac1	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-855.88246777; eV

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