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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	16-Jan-2026	/FG_dataset/aromatics/pd/111 pd-8a03-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-352.69313346; eV
	19-Mar-2026	/AsMoW As01Mo07W02O31-0H-iso-92408	Buils, Jordi	ADF; 2019; 304	Geometry optimization	PBE	TZP	-12.59110038; Eh
	15-Sep-2025	/Heptane-cleavage/Heptane-cleavage-flat-surfaces/RuNi-Ni NiRu-Ni-C7	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-618.62107965; eV
	19-Mar-2026	/AsMoW As01Mo08W03O39-3H-iso-12097730	Buils, Jordi	ADF; 2019; 304	Geometry optimization	PBE	TZP	-16.22321032; Eh
	19-Mar-2026	/AsMoW As01Mo07W04O39-1H-iso-14637624	Buils, Jordi	ADF; 2019; 304	Geometry optimization	PBE	TZP	-16.29444551; Eh
	19-Mar-2026	/AsMoW As01Mo07W05O40-0H-iso-201199322	Buils, Jordi	ADF; 2019; 304	Geometry optimization	PBE	TZP	-16.48411226; Eh
	19-Mar-2026	/AsMoW As01Mo03W09O40-0H-iso-241933	Buils, Jordi	ADF; 2019; 304	Geometry optimization	PBE	TZP	-16.73102620; Eh
	19-Mar-2026	/AsMoW As01Mo06W06O40-1H-iso-20162893	Buils, Jordi	ADF; 2019; 304	Geometry optimization	PBE	TZP	-16.48781312; Eh
	2-Jul-2025	/Bulk_structure/H2O/phonopy/disp_011 disp_011	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-14.42957135; eV
	2-Jul-2025	/Bulk_structure/H2O/phonopy/disp_009 disp_009	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-14.42782442; eV

Results 85131-85140 of 104079 (Search time: 0.05 seconds).