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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	19-Mar-2026	/AsMoW As01Mo03W06O31-3H-iso-25203	Buils, Jordi	ADF; 2019; 304	Geometry optimization	PBE	TZP	-12.65891190; Eh
	19-Mar-2026	/AsMoW As01Mo05W04O31-1H-iso-17640	Buils, Jordi	ADF; 2019; 304	Geometry optimization	PBE	TZP	-12.66241910; Eh
	19-Mar-2026	/AsMoW As01Mo05W07O40-0H-iso-184801	Buils, Jordi	ADF; 2019; 304	Geometry optimization	PBE	TZP	-16.60775393; Eh
	19-Mar-2026	/AsMoW As01Mo04W05O34-0H-iso-204556	Buils, Jordi	ADF; 2019; 304	Geometry optimization	PBE	TZP	-14.34051107; Eh
	19-Mar-2026	/AsMoW As01Mo01W08O34-0H-iso-0	Buils, Jordi	ADF; 2019; 304	Geometry optimization	PBE	TZP	-14.53009730; Eh
	2-Jul-2025	/Bulk_structure/pourbaix_diagram/H2WO4/phonopy/disp_004 disp_004	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-77009.36547340; eV
	26-Nov-2025	/sulfate_proj/Cu/111/OH/F/lsolvf lsolvf	Panja, Suraj	vasp; 5.3.3; 18Dez12 (build Jun 22 2017 15:26:47) complex	Single point	DFT	-	-300.37114412; eV
	16-Jan-2026	/FG_dataset/aromatics2/ni/111 ni-87N1-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-359.15158835; eV
	29-Sep-2025	/Optimizations/PBE_D3_U/Pristine py-mgo	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-455.06254453; eV
	29-Sep-2025	/Optimizations/PBE_D3_U/Pristine py-sro	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-458.87544652; eV

Results 87351-87360 of 103542 (Search time: 0.056 seconds).