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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 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
	13-Oct-2025	/Pd/100/adsorption/CH opt	Seemakurthi, Ranga Rohit	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-368.50300817; eV
	7-Mar-2023	/110/surf_vac/metal_coord/mos3 nh_from_dehyd-o2_addition	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-601.97447324; eV
	7-Mar-2023	/110/surf_vac/metal_coord/mos3 adsorbates-on_ce-nh3	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-597.01618807; eV
	7-Mar-2023	/110/surf_vac/metal_coord/mos3 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	-	-597.40883257; 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_vac-no-o	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-591.64683130; eV
	7-Mar-2023	/110/surf_vac/neighboring/mos2 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	-	-589.76287187; eV
	7-Mar-2023	/110/surf_vac/metal_coord/mos3 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	-	-589.35503985; eV
	7-Mar-2023	/110/surf_vac/metal_coord/mos3 xps	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Single point	DFT	-	-680.92217389; eV

Results 29101-29110 of 101953 (Search time: 0.017 seconds).