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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_c4_f_v2/Cd_Fe_N_din4_x2_c4_f_v2 sc	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-628.53648905; eV
	16-Jul-2024	/M_Fe_N_din4_x2/M_Fe_N_din4_x2_c2_c/Os_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	-	-640.55506803; eV
	16-Jul-2024	/M_Fe_N_din6_s/M_Fe_N_din6_s_c1/Co_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	-	-615.22869269; eV
	16-Jan-2026	/FG_dataset/aromatics/ir/111 ir-8a02-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-519.61870263; eV
	2-Jul-2025	/Bulk_structure/CuOH_2__1/phonopy/disp_019 disp_019	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Single point	DFT	-	-37.41721900; eV
	2-Jul-2025	/Bulk_structure/CuOH_2__1/phonopy/disp_018 disp_018	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Single point	DFT	-	-37.40180097; eV
	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 82561-82570 of 104124 (Search time: 0.051 seconds).