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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/neighboring/mos2 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	-	-592.36145803; eV
	7-Mar-2023	/110/surf_vac/neighboring/mos2 adsorbates-on_vac-nh3	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-596.90705706; eV
	7-Mar-2023	/110/surf_vac/metal_coord/mos3 adsorbates-on_mn-no-n	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-591.73874780; eV
	7-Mar-2023	/110/surf_vac/metal_coord/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	-	-590.56630335; eV
	7-Mar-2023	/110/surf_vac/metal_coord/mos3 adsorbates-on_vac-o2	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-589.39897363; eV
	7-Mar-2023	/110/surf_vac/neighboring/mos2 adsorbates-on_mn-o2	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-588.55033969; eV
	7-Mar-2023	/110/surf_vac/metal_coord/mos3 only_sac	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-577.01710127; eV
	7-Mar-2023	/110/surf_vac/neighboring/mos2 2vacs	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-569.18356624; eV
	14-Feb-2022	/intermediates-electric-field Cu(111)-6x6-2CO-E-p01	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-545.87391553; eV
	31-Jul-2023	/M_N_SACs/M_sq_C4N0_C5N2/Cu_sq_C4N0_C5N2 rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-622.21122871; eV

Results 29961-29970 of 101953 (Search time: 0.022 seconds).