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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	19-Mar-2026	/PMoW P01Mo03W08O39-3H-iso-2540233	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-16.70480666; Eh
	19-Mar-2026	/PMoW P01Mo03W08O39-1H-iso-29034600	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-16.70718220; Eh
	19-Mar-2026	/PMoW P01Mo04W05O31-1H-iso-201661	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-12.87986773; Eh
	19-Mar-2026	/PMoW P01Mo00W11O39-2H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-16.90198512; Eh
	19-Mar-2026	/PMoW P01Mo01W04O19-1H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-8.02005255; Eh
	16-Jan-2026	/FG_dataset/group2/au/111 au-4a12-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-231.53272376; eV
	16-Jan-2026	/FG_dataset/group2/au/111 au-4a11-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-231.32463135; eV
	1-Jun-2024	/Layer/CeO₂ CeO₂-1l-18vac	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-26.72353135; eV
	29-May-2024	/References H₂	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-6.77026769; eV
	1-Jun-2024	/Layer/CeO₂ CeO₂(111)-2l	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-

Results 98471-98480 of 103542 (Search time: 0.057 seconds).