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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/mos3_2 adsorbates-on_ce-o2-hse_sp	Geiger, Julian	vasp; 6.3.0; 20Jan22 (build Feb 3 2022 13:49:53) gamma-only	N/A	DFT	-	-699.47938832; eV
	7-Mar-2023	/110/nd/sac_ads/mos5 adsorbates-on_ce-o2-hse_sp	Geiger, Julian	vasp; 6.3.0; 20Jan22 (build Feb 3 2022 13:49:53) gamma-only	N/A	DFT	-	-698.82792440; eV
	7-Mar-2023	/110/nd/sac_ads/mos3_2 only_sac-xps	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Single point	DFT	-	-688.21967453; eV
	14-Feb-2022	/intermediates-electric-field Cu(111)-6x6-C2O4-E-n03	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-559.90117032; eV
	31-Jul-2023	/M_N_SACs/M_sq_C4N0_C5N2/Pt_sq_C4N0_C5N2 rel_111	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-624.37021126; eV
	31-Jul-2023	/M_N_SACs/M_sq_C4N0_C5N2/Pd_sq_C4N0_C5N2 rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-624.32352358; eV
	7-Mar-2023	/110/nd/sac_ads/mos2 adsorbates-on_mn-n2o-n	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-605.16438998; eV
	7-Mar-2023	/110/nd/sac_ads/mos3 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	-	-601.06297244; eV
	7-Mar-2023	/110/nd/sac_ads/mos3 adsorbates-on_ce-no-n	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-597.43320684; eV
	7-Mar-2023	/110/nd/sac_ads/mos2 adsorbates-on_mn-no-o	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-596.40381285; eV

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