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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	31-Jul-2023	/M_N_SACs/M_sq_C4N0_C5N1/Co_sq_C4N0_C5N1 rel_111	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-626.47711846; eV
	31-Jul-2023	/M_N_SACs/M_sq_C4N0_C5N1/Ni_sq_C4N0_C5N1 rel_111	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-625.33085866; eV
	7-Mar-2023	/100_4o/surf_vac/neighboring/mos3 adsorbates-on_mn-hno-n	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-873.58558516; eV
	7-Mar-2023	/100_4o/nd/sac_ads/mos3 adsorbates-on_mn-nh2	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-878.54989566; eV
	7-Mar-2023	/100_4o/nd/sac_ads/mos3 only_sac-xps	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Single point	DFT	-	-966.21028245; eV
	7-Mar-2023	/100_4o/nd/sac_ads/mos3 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	-	-
	14-Nov-2023	/CO-adsorptions CO-Pt-MnO-conf7-frq	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Frequencies	DFT	-	-3660.18116787; eV
	7-Mar-2023	/100/surf_vac/substitutional/next_row adsorbates-on_mn-hno-n	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-861.77075087; eV
	7-Mar-2023	/100/surf_vac/substitutional/next_row 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	-	-861.21536126; eV
	7-Mar-2023	/100/surf_vac/substitutional/same_row adsorbates-on_vac-no-o	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-857.31941655; eV

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