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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_din4_x2/M_Fe_N_din4_x2_c3_c_v2/Ru_Fe_N_din4_x2_c3_c_v2 sc	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-637.67884297; eV
	16-Jul-2024	/M_Fe_N_din6_s/M_Fe_N_din6_s_c3_024/Ir_Fe_N_din6_s_c3_024 sc	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-616.45793179; eV
	26-Feb-2025	/single_point_recalculations_Eel/T125 Mo03O14-8H	Junkers, Laura S.	ADF; 2019	Single point	PBE	TZP	-
	26-Feb-2025	/single_point_recalculations_Eel/T125 Mo04O18-6H	Junkers, Laura S.	ADF; 2019	Single point	PBE	TZP	-
	26-Feb-2025	/single_point_recalculations_Eel/T125 Mo04O13-2H	Junkers, Laura S.	ADF; 2019	Single point	PBE	TZP	-
	26-Feb-2025	/single_point_recalculations_Eel/T125 Mo04O13-1H	Junkers, Laura S.	ADF; 2019	Single point	PBE	TZP	-
	26-Feb-2025	/single_point_recalculations_Eel/T125 Mo04O13-0H	Junkers, Laura S.	ADF; 2019	Single point	PBE	TZP	-
	16-Jul-2024	/M_Fe_N_din6_s/M_Fe_N_din6_s_c3_012/Rh_Fe_N_din6_s_c3_012 rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-614.86075305; eV
	16-Jul-2024	/M_Fe_N_din6_as/M_Fe_N_din6_as_c2_13/Os_Fe_N_din6_as_c2_13 rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-638.31008346; eV
	16-Jul-2024	/M_Fe_N_din6_as/M_Fe_N_din6_as_c3_216/Pt_Fe_N_din6_as_c3_216 dos	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-634.94164038; eV

Results 4401-4410 of 101953 (Search time: 0.006 seconds).