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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/metal_coord/mos3 adsorbates-on_mn-nh3-hse_sp	Geiger, Julian	vasp; 6.3.0; 20Jan22 (build Feb 3 2022 13:49:53) gamma-only	N/A	DFT	-	-698.56234451; eV
	7-Mar-2023	/110/surf_vac/metal_coord/mos3 adsorbates-on_ce-nh3-hse_sp	Geiger, Julian	vasp; 6.3.0; 20Jan22 (build Feb 3 2022 13:49:53) gamma-only	N/A	DFT	-	-700.36122367; eV
	7-Mar-2023	/110/surf_vac/metal_coord/mos3 adsorbates-on_mn-hno-n-hse_sp	Geiger, Julian	vasp; 6.3.0; 20Jan22 (build Feb 3 2022 13:49:53) gamma-only	N/A	DFT	-	-697.70030678; eV
	7-Mar-2023	/110/surf_vac/metal_coord/mos3 adsorbates-on_ce-o2-hse_sp	Geiger, Julian	vasp; 6.3.0; 20Jan22 (build Feb 3 2022 13:49:53) gamma-only	N/A	DFT	-	-693.67397739; eV
	7-Mar-2023	/110/surf_vac/metal_coord/mos3 adsorbates-on_mn-no-n-hse_sp	Geiger, Julian	vasp; 6.3.0; 20Jan22 (build Feb 3 2022 13:49:53) gamma-only	N/A	DFT	-	-694.46835987; eV
	7-Mar-2023	/110/surf_vac/metal_coord/mos3 mos3	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/metal_coord/mos3 bader	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Single point	DFT	-	-577.00818726; eV
	7-Mar-2023	/110/surf_vac/inside inside	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-574.26957386; eV
	14-Feb-2022	/intermediates-electric-field Cu(111)-6x6-2CO-E-p02	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-546.05396775; eV
	31-Jul-2023	/M_N_SACs/M_sq_C4N0_C5N2/Ir_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	-	-627.76289145; eV

Results 28671-28680 of 101953 (Search time: 0.018 seconds).