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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 only_sac	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-583.37979607; eV
	7-Mar-2023	/110/nd/sac_ads/mos2 adsorbates-on_mn-n2o-o	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-604.86623550; eV
	7-Mar-2023	/110/nd/sac_ads/mos2 adsorbates-on_mn-o2-2vacs-hse_sp	Geiger, Julian	vasp; 6.3.0; 20Jan22 (build Feb 3 2022 13:49:53) gamma-only	N/A	DFT	-	-683.86228379; eV
	7-Mar-2023	/110/nd/sac_ads/mos2 adsorbates-on_mn-o	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-591.02992284; eV
	7-Mar-2023	/110/nd/sac_ads/mos2 adsorbates-on_ce-nh3-hse_sp	Geiger, Julian	vasp; 6.3.0; 20Jan22 (build Feb 3 2022 13:49:53) gamma-only	N/A	DFT	-	-709.53643428; eV
	7-Mar-2023	/110/nd/sac_ads/mos3 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	-	-706.83500560; eV
	7-Mar-2023	/110/nd/pris/adsorbates on_ce-n2o-o	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-595.18771712; eV
	14-Jun-2024	/Au25_clusters/Au25_react Au25_SH-00_COOH	Ibáñez-Alé, Enric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-
	7-Mar-2023	/110/nd/sac_ads/mos2 adsorbates-on_mn-no-n-hse_sp	Geiger, Julian	vasp; 6.3.0; 20Jan22 (build Feb 3 2022 13:49:53) gamma-only	N/A	DFT	-	-702.56265415; eV
	7-Mar-2023	/110/nd/sac_ads/mos2 adsorbates-on_mn-hno-n-hse_sp	Geiger, Julian	vasp; 6.3.0; 20Jan22 (build Feb 3 2022 13:49:53) gamma-only	N/A	DFT	-	-706.89121185; eV

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