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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_c2_e/Zn_Fe_N_din4_x2_c2_e sc	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-629.17618259; eV
	16-Jul-2024	/M_Fe_N_din4_x2/M_Fe_N_din4_x2_c2_c/Cd_Fe_N_din4_x2_c2_c sc	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-628.43504558; eV
	16-Jul-2024	/M_Fe_N_din6_s/M_Fe_N_din6_s_c1/Cd_Fe_N_din6_s_c1 sc	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-609.55936327; eV
	6-Sep-2024	/B3LYP/Mo Mo05O22-6H	Buils, Jordi	ADF; 2019	Single point	B3LYP	TZP	-
	6-Sep-2024	/B3LYP/Mo Mo03O10-2H	Buils, Jordi	ADF; 2019	Single point	B3LYP	TZP	-
	6-Sep-2024	/B3LYP/Mo Mo05O17-0H	Buils, Jordi	ADF; 2019	Single point	B3LYP	TZP	-
	2-Jul-2025	/Bulk_structure/CuOH_2__1 CuOH_2__1	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-37.53357543; eV
	2-Jul-2025	/Bulk_structure/CuO/phonopy/disp_001 disp_001	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-65.83830862; eV
	2-Jul-2025	/Bulk_structure/CuO/phonopy/disp_004 disp_004	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-65.83731069; eV
	2-Jul-2025	/Bulk_structure/CuO/phonopy/disp_002 disp_002	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-65.83754859; eV

Results 3041-3050 of 100263 (Search time: 0.005 seconds).