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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-nh3	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-603.53037361; eV
	7-Mar-2023	/110/nd/sac_ads/mos2 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	-	-600.06337631; eV
	7-Mar-2023	/110/nd/sac_ads/mos2 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	-	-601.14604148; eV
	7-Mar-2023	/110/nd/sac_ads/mos2 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	-	-596.04379343; eV
	7-Mar-2023	/110/nd/pris/adsorbates on_ce-n2o-n	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-595.25900031; eV
	7-Mar-2023	/110/nd/pris/adsorbates on_ce-no_h	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-591.32738806; eV
	7-Mar-2023	/110/nd/pris/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	-	-688.88304706; eV
	7-Mar-2023	/110/nd/pris/surface hse_sp	Geiger, Julian	vasp; 6.3.0; 20Jan22 (build Feb 3 2022 13:49:53) gamma-only	N/A	DFT	-	-677.18225312; eV
	14-Feb-2022	/intermediates-electric-field Cu(111)-6x6-C2O4-E-p02	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-559.99887121; eV
	14-Feb-2022	/intermediates-electric-field Cu(100)-6x6-CuHCO3-E-p01	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-565.05809443; eV

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