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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	17-Jul-2025	h_5_ni5p4	Naeem, Muhammad Saad	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-728.37885333; eV
	17-Jul-2025	h_4_ni5p4	Naeem, Muhammad Saad	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-724.32678210; eV
	6-Sep-2024	/M06L/Mo Mo03O10-1H	Buils, Jordi	ADF; 2019	Single point	M06-L == Not Default ==	TZP	-
	6-Sep-2024	/B3LYP/PMo P00Mo02O07-1H	Buils, Jordi	ADF; 2019	Single point	B3LYP	TZP	-
	16-Jan-2026	/FG_dataset/group3N/zn/0001 zn-49N7-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-131.77796618; eV
	16-Jan-2026	/FG_dataset/aromatics/zn/0001 zn-44S1-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-108.46808596; eV
	16-Jul-2024	/M_Fe_N_din4_x2/M_Fe_N_din4_x2_c1_a_v2/Co_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	-	-637.64798032; eV
	2-Jul-2025	/Bulk_structure/INCAR_config_1 U_2_4	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-733.49600689; eV
	2-Jul-2025	/Bulk_structure/INCAR_config_1 U_2_6	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-733.49600689; eV
	2-Jul-2025	/Bulk_structure/INCAR_config_1 U_2_0	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-733.49600689; eV

Results 83121-83130 of 104124 (Search time: 0.048 seconds).