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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 xps	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Single point	DFT	-	-958.92176124; eV
	7-Mar-2023	/100/surf_vac/substitutional/next_row 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	-	-861.85379601; eV
	7-Mar-2023	/100/nd/sac_ads/mos4 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	-	-873.36738554; eV
	7-Mar-2023	/100/surf_vac/pris/hno fill_vac-horizontal-2	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-862.19437865; eV
	7-Mar-2023	/100/surf_vac/substitutional/same_row same_row	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-844.06217716; eV
	7-Mar-2023	/100/surf_vac/substitutional/same_row bader	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Single point	DFT	-	-844.09695298; eV
	14-Jun-2024	/Au25_clusters/Au25_react Au25_SH-00_CO	Ibáñez-Alé, Enric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-
	31-Jul-2023	/M_N_SACs/M_sq_C4X0_C5X0/Ni_sq_C4X0_C5X0 rel_111	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-624.63969817; eV
	31-Jul-2023	/M_N_SACs/M_sq_C4X0_C5X0/Pd_sq_C4X0_C5X0 rel_111	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-624.83805743; eV
	7-Mar-2023	/100/surf_vac/substitutional/next_row adsorbates-on_vac-hno-o	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-861.21536126; eV

Results 30031-30040 of 101953 (Search time: 0.019 seconds).