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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	16-Jul-2024	/M_Fe_N_din6_as/M_Fe_N_din6_as_c3_125/Ag_Fe_N_din6_as_c3_125 dos	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-630.13292307; eV
	16-Jul-2024	/M_Fe_N_din6_s/M_Fe_N_din6_s_c2_01/Pd_Fe_N_din6_s_c2_01 dos	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-613.33224036; eV
	16-Jul-2024	/M_Fe_N_din6_as/M_Fe_N_din6_as_c0/Fe_Fe_N_din6_as_c0 rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-637.06751931; eV
	16-Jul-2024	/M_Fe_N_din4_x2/M_Fe_N_din4_x2_c2_g/Ni_Fe_N_din4_x2_c2_g sc	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-635.57633726; eV
	19-Mar-2026	/AsMoW As01Mo05W04O34-3H-iso-161526	Buils, Jordi	ADF; 2019; 304	Geometry optimization	PBE	TZP	-14.38287821; Eh
	26-Feb-2025	/single_point_recalculations_Eel/T75 Mo08O26-0H	Junkers, Laura S.	ADF; 2019	Single point	PBE	TZP	-
	6-Sep-2024	/B3LYP/Ta Ta07O22-1H	Buils, Jordi	ADF; 2019	Single point	B3LYP	TZP	-
	16-Jan-2026	/FG_dataset/group3N/ru/0001 ru-37N4-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-485.40655442; eV
	16-Jan-2026	/FG_dataset/aromatics/ir/111 ir-6601-b	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-485.27652891; eV
	16-Jul-2024	/M_Fe_N_din6_as/M_Fe_N_din6_as_c3_124/Zn_Fe_N_din6_as_c3_124 rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-630.30353716; eV

Results 85011-85020 of 104079 (Search time: 0.058 seconds).