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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	2-Oct-2024	/Slabs/Segregation/CoNi(111) CoNi(111)-1-Ni	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-
	16-Jan-2026	/FG_dataset/amidines/zn/0001 zn-4aZj-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-144.26522776; eV
	2-Oct-2024	/Slabs/Segregation/CoNi(001) CoNi(001)-1-Ni	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-
	2-Oct-2024	/Slabs/Segregation/CoNi(001) CoNi(001)-1-Co	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-
	2-Oct-2024	/References CeO₂(111)	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-
	2-Oct-2024	/References Sm₂O₃-bulk	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-
	2-Oct-2024	/References O₂	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-
	19-Mar-2026	/AsMoW As01Mo07W05O40-2H-iso-217745730	Buils, Jordi	ADF; 2019; 304	Geometry optimization	PBE	TZP	-16.34816594; Eh
	19-Mar-2026	/AsMoW As01Mo05W04O34-2H-iso-181449	Buils, Jordi	ADF; 2019; 304	Geometry optimization	PBE	TZP	-14.35951653; Eh
	7-Nov-2024	/Reactivity octa75-9-OCHCH	Ibáñez-Alé, Enric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-

Results 78341-78350 of 104126 (Search time: 0.05 seconds).