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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/sac_ads/mos2 adsorbates-on_ce-hno-n	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-601.04811451; eV
	7-Mar-2023	/110/nd/sac_ads/mos2 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	-	-603.30272722; eV
	7-Mar-2023	/110/nd/sac_ads/mos3 adsorbates-on_ce-o2	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-595.03301065; eV
	7-Mar-2023	/110/nd/sac_ads/mos2 adsorbates-on_mn-n	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-591.44674308; eV
	7-Mar-2023	/110/nd/sac_ads/mos2 adsorbates-on_mn-o2	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-595.70870098; eV
	7-Mar-2023	/110/nd/sac_ads/mos2 adsorbates-on_mn-o2-hse_sp	Geiger, Julian	vasp; 6.3.0; 20Jan22 (build Feb 3 2022 13:49:53) gamma-only	N/A	DFT	-	-702.24084446; eV
	7-Mar-2023	/110/nd/sac_ads/mos2 only_sac-hse_sp	Geiger, Julian	vasp; 6.3.0; 20Jan22 (build Feb 3 2022 13:49:53) gamma-only	N/A	DFT	-	-687.60823536; eV
	7-Mar-2023	/110/nd/sac_ads/mos2 adsorbates-on_ce-n2o-o	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-603.88597292; eV
	7-Mar-2023	/110/nd/sac_ads/mos2 adsorbates-on_ce-hno-n-hse_sp	Geiger, Julian	vasp; 6.3.0; 20Jan22 (build Feb 3 2022 13:49:53) gamma-only	N/A	DFT	-	-706.98626580; eV
	7-Mar-2023	/110/nd/pris/adsorbates on_ce-nh2_h	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-593.56118039; eV

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