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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-n2o-n-hse_sp	Geiger, Julian	vasp; 6.3.0; 20Jan22 (build Feb 3 2022 13:49:53) gamma-only	N/A	DFT	-	-711.59163477; eV
	7-Mar-2023	/110/nd/sac_ads/mos2 only_sac-bader	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Single point	DFT	-	-583.35115936; eV
	7-Mar-2023	/110/nd/pris/surface surface	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-573.70136391; eV
	14-Feb-2022	/intermediates-electric-field Cu(711)-1x6-2OH-E-n03	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-360.25570956; eV
	7-Mar-2023	/110/nd/pris/adsorbates initial_mn-adsorbed-via_ase-004	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-584.01943534; eV
	7-Mar-2023	/110/nd/pris/adsorbates initial_mn-adsorbed-via_ase-002	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/pris/adsorbates initial_mn-adsorbed-via_ase-006	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-583.03151820; eV
	7-Mar-2023	/110/nd/pris/adsorbates initial_mn-adsorbed-via_ase-007	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-581.96638090; eV
	7-Mar-2023	/110/nd/pris/adsorbates initial_mn-adsorbed-via_ase-003	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-581.96978155; eV
	7-Mar-2023	/110/nd/pris/adsorbates on_ce-hno-n	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-589.85560979; eV

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