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Item hits:

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_b/Ru_Fe_N_din4_x2_c3_b sc	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-638.15389527; eV
	20-Jun-2025	/Mn_proj/Rec_MnOBr/v_Mn/oer/MOH MOH	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-1058.14265825; eV
	20-Jun-2025	/Mn_proj/Rec_MnOBr/adO2 adO2	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-15450.54695430; eV
	20-Jun-2025	/Mn_proj/Rec_MnOBr/v_Mn/oer/M M	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-1059.65911784; eV
	20-Jun-2025	/Mn_proj/Rec_MnOBr/v_I/scan scan	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-16229.18334561; eV
	20-Jun-2025	/Mn_proj/Rec_MnOBr/adBr adBr	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-16072.24408426; eV
	20-Jun-2025	/Mn_proj/Rec_MnOBr/v_I v_I	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-1085.07032907; eV
	20-Jun-2025	/Mn_proj/Rec_MnOBr/Ireg Ireg	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-15781.94186291; eV
	16-Jul-2024	/M_Fe_N_din4_x2/M_Fe_N_din4_x2_c2_g_v2/Co_Fe_N_din4_x2_c2_g_v2 rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-637.59597026; eV
	16-Jul-2024	/M_Fe_N_din4_x2/M_Fe_N_din4_x2_c2_g/Au_Fe_N_din4_x2_c2_g rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-630.76412554; eV

Results 4761-4770 of 101953 (Search time: 0.006 seconds).