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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_mn-hno-n-square_planar_coord	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-601.46216995; eV
	7-Mar-2023	/110/nd/sac_ads/mos3 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	-	-605.12048174; eV
	7-Mar-2023	/110/nd/sac_ads/mos3 adsorbates-on_ce-n2o-n	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-606.49629312; eV
	7-Mar-2023	/110/nd/sac_ads/mos3 adsorbates-on_mn-hno-o	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-601.27925006; eV
	7-Mar-2023	/110/nd/sac_ads/mos3 adsorbates-on_mn-no-n	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-598.33564394; eV
	7-Mar-2023	/110/nd/sac_ads/mos3 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	-	-710.27293307; eV
	7-Mar-2023	/110/nd/sac_ads/mos2 adsorbates-on_ce-hno-o-hse_sp	Geiger, Julian	vasp; 6.3.0; 20Jan22 (build Feb 3 2022 13:49:53) gamma-only	N/A	DFT	-	-705.99541315; eV
	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
	16-Jul-2024	/M_Fe_N_din6_s_c2_01/Ni_Fe_N_din6_s_c2_01 dos	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-613.61828306; eV
	7-Mar-2023	/110/nd/sac_ads/mos3 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	-	-606.48802019; eV

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