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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	31-Jul-2023	/N_carbons/sq_C5X0 rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-640.22182841; eV
	31-Jul-2023	/N_carbons/sq_C5X0 rel_111	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-639.58312704; eV
	31-Jul-2023	/N_carbons/sq_C4N2_C5N0 dos	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-615.56807185; eV
	31-Jul-2023	/N_carbons/tr_C4N1_C5N2 sc	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-648.79431690; eV
	31-Jul-2023	/N_carbons/tr_C4N1_C5N2 dos	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-648.81243379; eV
	31-Jul-2023	/N_carbons/sq_C5X0 sc	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-640.22184694; eV
	6-Sep-2024	/BP86/W W05O16-2H	Buils, Jordi	ADF; 2019	Single point	BP86	TZP	-
	14-Jun-2024	/Au25_clusters/Au25_react Au23Cu2ks_SR-S-CO2	Ibáñez-Alé, Enric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-
	5-Feb-2024	/ZnZrOx/Zn₂ZrOx-configurations Zn₂ZrOx-conf15d	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-1776.20795343; eV
	5-Feb-2024	/ZnZrOx/Zn₂ZrOx-configurations Zn₂ZrOx-conf15b	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-1774.93722091; eV

Results 29801-29810 of 101953 (Search time: 0.019 seconds).