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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_4o/surf_vac/neighboring/mos3 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	-	-868.79677245; eV
	7-Mar-2023	/110/nd/pris/adsorbates initial_mn-adsorbed-via_ase-000	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-579.00111218; eV
	7-Mar-2023	/100_4o/nd/pris/initial_mn adsorbed-manual	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-862.79972365; eV
	7-Mar-2023	/100_4o/nd/sac_ads/mos3 only_sac-bader	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Single point	DFT	-	-862.70222199; eV
	7-Mar-2023	/100_4o/nd/sac_ads/mos3 adsorbates-on_mn-n2o-o	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-
	14-Feb-2022	/intermediates-electric-field Cu(711)-1x6-2H-E-p03	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-345.62731797; eV
	14-Feb-2022	/intermediates-electric-field Cu(111)-6x6-OH-E-p01	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-525.30500144; eV
	14-Feb-2022	/intermediates-electric-field Cu(711)-1x6-CO3-E-00	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-368.26064866; eV
	7-Mar-2023	/100_4o/surf_vac/neighboring/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	-	-874.10783418; eV
	7-Mar-2023	/100_4o/surf_vac/neighboring/mos3 adsorbates-on_mn-hno-o	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-872.67423261; eV

Results 49601-49610 of 104124 (Search time: 0.029 seconds).