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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/surf_vac/pris/adsorbates on_ce-hno-fill_vac-o	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-584.48853777; eV
	7-Mar-2023	/110/surf_vac/pris/adsorbates on_ce-no-on_polaron-o	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-580.24646759; eV
	7-Mar-2023	/110/surf_vac/neighboring/mos2 2vacs-o_alt_pos	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-568.58111276; eV
	7-Mar-2023	/110/surf_vac/metal_coord/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	-	-593.31339308; eV
	7-Mar-2023	/110/surf_vac/metal_coord/mos3 adsorbates-on_vac-hno-n	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-595.01672766; eV
	7-Mar-2023	/110/surf_vac/metal_coord/mos3 adsorbates-on_mn-nh3-hse_sp	Geiger, Julian	vasp; 6.3.0; 20Jan22 (build Feb 3 2022 13:49:53) gamma-only	N/A	DFT	-	-698.56234451; eV
	7-Mar-2023	/110/surf_vac/metal_coord/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	-	-700.36122367; eV
	7-Mar-2023	/110/surf_vac/metal_coord/mos3 adsorbates-on_mn-hno-n-hse_sp	Geiger, Julian	vasp; 6.3.0; 20Jan22 (build Feb 3 2022 13:49:53) gamma-only	N/A	DFT	-	-697.70030678; eV
	7-Mar-2023	/110/surf_vac/metal_coord/mos3 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	-	-693.67397739; eV
	7-Mar-2023	/110/surf_vac/metal_coord/mos3 adsorbates-on_mn-no-n-hse_sp	Geiger, Julian	vasp; 6.3.0; 20Jan22 (build Feb 3 2022 13:49:53) gamma-only	N/A	DFT	-	-694.46835987; eV

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