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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	7-Mar-2023	/100/surf_vac/substitutional/same_row adsorbates-on_mn-nh3	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-863.93729594; eV
	7-Mar-2023	/100/surf_vac/substitutional/same_row adsorbates-on_vac-no-n	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-857.14673798; eV
	7-Mar-2023	/100/surf_vac/pris/hno fill_vac-horizontal-1	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-861.95919889; eV
	7-Mar-2023	/100/surf_vac/substitutional/next_row bader	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Single point	DFT	-	-844.04400522; eV
	7-Mar-2023	/100/surf_vac/neighboring/mos4 bader	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Single point	DFT	-	-855.78027217; eV
	7-Mar-2023	/100/surf_vac/pris/surface hse_sp	Geiger, Julian	vasp; 6.3.0; 20Jan22 (build Feb 3 2022 13:49:53) gamma-only	N/A	DFT	-	-996.65847900; eV
	7-Mar-2023	/100/surf_vac/neighboring/mos2 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	-	-872.24847577; eV
	7-Mar-2023	/100/nd/sac_ads/mos4 adsorbates-on_mn-nh3	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-881.29125848; eV
	7-Mar-2023	/100/nd/substitutional/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	-	-867.79909713; eV
	7-Mar-2023	/100/surf_vac/pris/no fill_vac-o	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-857.34665436; eV

Results 30041-30050 of 101953 (Search time: 0.02 seconds).