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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	18-Jun-2024	/Transition_states/Rh/111 1411-1312	Morandi, Santiago	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Geometry optimization	DFT	-	-
	25-Apr-2024	/Ag/cluster_calcs/Li/3_H2O 3_3800	Seemakurthi, Ranga Rohit	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-45.06586705; eV
	19-Mar-2026	/V V03O10-2H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-4.51807982; Eh
	19-Mar-2026	/V V08O24-0H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-10.62823864; Eh
	20-Jun-2025	/Mn_proj/Surfaces/112/phonopy/disp_191 disp_191	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-1043.60310562; eV
	6-Sep-2024	/PBE/Ta H6O3	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-1.60108722; Eh
	16-Jan-2026	/FG_dataset/group3S/pd/111 pd-14S1-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-270.12561091; eV
	16-Jul-2024	/M_Fe_N_din6_s_c5/Os_Fe_N_din6_s_c5 rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-617.00928213; eV
	16-Jul-2024	/M_Fe_N_din6_s_c5/Pd_Fe_N_din6_s_c5 rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-612.48885545; eV
	16-Jul-2024	/M_Fe_N_din6_s_c5/Os_Fe_N_din6_s_c5 dos	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-617.02209569; eV

Results 75321-75330 of 104126 (Search time: 0.044 seconds).