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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_c5_a/Co_Fe_N_din4_x2_c5_a rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-636.08470954; eV
	16-Jul-2024	/M_Fe_N_din6_as/M_Fe_N_din6_as_c3_123/Pt_Fe_N_din6_as_c3_123 sc	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-635.04676311; eV
	16-Jul-2024	/M_Fe_N_din6_s/M_Fe_C_din6_s_c6/Ag_Fe_C_din6_s_c6 rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-608.65847722; eV
	16-Jul-2024	/M_Fe_N_din4_x2/M_Fe_N_din4_x2_c2_d/Ni_Fe_N_din4_x2_c2_d sc	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-635.80476238; eV
	16-Jul-2024	/M_Fe_N_din6_as/M_Fe_C_din6_as_c6/Ag_Fe_C_din6_as_c6 sc	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-629.66528155; eV
	16-Jul-2024	/M_Fe_N_din6_s/M_Fe_C_din6_s_c6/Cd_Fe_C_din6_s_c6 dos	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-606.79755697; eV
	2-Jul-2025	/Bulk_structure/INCAR_U U_8_0	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-20053.55720412; eV
	6-Sep-2024	/B3LYP/Nb Nb01O05-3H	Buils, Jordi	ADF; 2019	Single point	B3LYP	TZP	-
	6-Sep-2024	/B3LYP/V V08O24-1H	Buils, Jordi	ADF; 2019	Single point	B3LYP	TZP	-
	6-Sep-2024	/B3LYP/V H3O	Buils, Jordi	ADF; 2019	Single point	B3LYP	TZP	-

Results 4851-4860 of 101953 (Search time: 0.007 seconds).