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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_c1_a_v2/Co_Fe_N_din4_x2_c1_a_v2 dos	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-637.70154611; eV
	16-Jul-2024	/M_Fe_N_din4_x2/M_Fe_N_din4_x2_c1_a_v2/Cu_Fe_N_din4_x2_c1_a_v2 sc	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-632.70408818; eV
	16-Jul-2024	/M_Fe_N_din4_x2/M_Fe_N_din4_x2_c1_a_v2/Fe_Fe_N_din4_x2_c1_a_v2 dos	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-638.97805926; eV
	16-Jul-2024	/M_Fe_N_din4_x2/M_Fe_N_din4_x2_c1_a_v2/Fe_Fe_N_din4_x2_c1_a_v2 sc	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-638.95756674; eV
	3-Feb-2025	lni1oac	Díaz-Ruiz, Marina	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	UB3LYP	CC-PVTZ GEN	-2783.2071372; Eh
	3-Feb-2025	lni1br	Díaz-Ruiz, Marina	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	UB3LYP	CC-PVTZ GEN	-5128.890208; Eh
	14-Nov-2025	H2P2Tc4W20O79_SP10	Hosseini, Farzaneh	AMS; 2021.101; r94406	Single point	PBE0 == Not Default ==	TZP	-1207.418640; eV
	3-Feb-2025	lni1	Díaz-Ruiz, Marina	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	UB3LYP	CC-PVTZ GEN	-2554.4793189; Eh
	3-Feb-2025	lni0	Díaz-Ruiz, Marina	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	CC-PVTZ GEN	-2554.5507331; Eh
	16-Jan-2026	/FG_dataset/group3N/gas 37N5	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-61.16230378; eV

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