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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/tr_C4X0_C5X0 rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-649.63533690; eV
	31-Jul-2023	/N_carbons/tr_C4X0_C5X0 rel_111	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-648.66697590; eV
	31-Jul-2023	/N_carbons/sq_C4N2_C5N1 dos	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-616.76823414; eV
	31-Jul-2023	/N_carbons/sq_C4N2_C5N2 dos	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-617.75698037; eV
	31-Jul-2023	/N_carbons/tr_C4X0_C5X0 sc	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-649.63533400; eV
	31-Jul-2023	/N_carbons/sq_C4N2_C5N2 sc	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-617.77411177; eV
	6-Sep-2024	/BP86/W W05O16-1H	Buils, Jordi	ADF; 2019	Single point	BP86	TZP	-
	5-Feb-2024	/ZnZrOx/Zn₂ZrOx-configurations Zn₂ZrOx-conf11a	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-1776.01505440; eV
	5-Feb-2024	/ZnZrOx/Zn₂ZrOx-configurations Zn₂ZrOx-conf11b	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-1776.01878091; eV
	5-Feb-2024	/ZnZrOx/Zn₂ZrOx-configurations Zn₂ZrOx-conf11c	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-1775.36813748; eV

Results 28931-28940 of 101953 (Search time: 0.021 seconds).