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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	14-Feb-2022	/intermediates-electric-field Cu(111)-6x6-OH-E-00	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-525.27511561; 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/nd/sac_ads/mos3 adsorbates-on_mn-n2o-n	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-884.61088924; eV
	7-Mar-2023	/100_4o/nd/sac_ads/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	-	-883.42302286; eV
	7-Mar-2023	/100_4o/surf_vac/neighboring/mos3 bader	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Single point	DFT	-	-855.65729074; eV
	6-Sep-2024	/BP86/W W10O32-2H	Buils, Jordi	ADF; 2019	Single point	BP86	TZP	-
	31-Jul-2023	/M_N_SACs/M_sq_C4N0_C5N1/Cu_sq_C4N0_C5N1 rel_111	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-623.54916542; eV
	31-Jul-2023	/M_N_SACs/M_sq_C4N0_C5N1/Fe_sq_C4N0_C5N1 rel_111	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-628.14478607; eV
	31-Jul-2023	/M_N_SACs/M_sq_C4N0_C5N1/Ir_sq_C4N0_C5N1 rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-629.14869458; eV
	31-Jul-2023	/M_N_SACs/M_sq_C4N0_C5N1/Zn_sq_C4N0_C5N1 rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-621.01530524; eV

Results 28721-28730 of 101953 (Search time: 0.018 seconds).