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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 As01Mo03W09O40-0H-iso-25200	Buils, Jordi	ADF; 2019; 304	Geometry optimization	PBE	TZP	-16.73105796; Eh
	20-Jun-2025	/Mn_proj/Surfaces/I3_100/v_Mn/MOOH MOOH	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-1071.29248918; eV
	20-Jun-2025	/Mn_proj/Surfaces/I3_100/v_Mn/MOH MOH	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-1074.12016366; eV
	20-Jun-2025	/Mn_proj/Surfaces/I3_100/v_Mn/MO MO	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-1068.45224692; eV
	6-Sep-2024	/M06L/Mo Mo07O31-14H	Buils, Jordi	ADF; 2019	Single point	M06-L == Not Default ==	TZP	-
	6-Sep-2024	/M06L/Mo Mo08O35-13H	Buils, Jordi	ADF; 2019	Single point	M06-L == Not Default ==	TZP	-
	6-Sep-2024	/M06L/Mo Mo08O26-1H	Buils, Jordi	ADF; 2019	Single point	M06-L == Not Default ==	TZP	-
	16-Jan-2026	/FG_dataset/group3N/ir/111 ir-4bN5-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-494.68712275; eV
	16-Jan-2026	/FG_dataset/aromatics/cd/0001 cd-5601-b	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-102.55002331; eV
	23-Jul-2025	/Ti(0001)/CxHyS/Ethanethiol config_1	Van Hout, Thomas	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-407.72927094; eV

Results 85481-85490 of 104079 (Search time: 0.051 seconds).