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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	6-Sep-2024	/M06L/Mo Mo05O16-2H	Buils, Jordi	ADF; 2019	Single point	M06-L == Not Default ==	TZP	-
	16-Jan-2026	/FG_dataset/group3N/zn/0001 zn-37N5-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-115.54653591; eV
	16-Jan-2026	/FG_dataset/aromatics/cd/0001 cd-8a01-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-145.96855798; eV
	19-Mar-2026	/AsMoW As01Mo05W04O34-2H-iso-163490	Buils, Jordi	ADF; 2019; 304	Geometry optimization	PBE	TZP	-14.35919922; Eh
	19-Mar-2026	/AsMoW As01Mo08W03O39-1H-iso-12097470	Buils, Jordi	ADF; 2019; 304	Geometry optimization	PBE	TZP	-16.23383383; Eh
	19-Mar-2026	/AsMoW As01Mo04W07O39-0H-iso-25643522	Buils, Jordi	ADF; 2019; 304	Geometry optimization	PBE	TZP	-16.46148738; Eh
	19-Mar-2026	/AsMoW As01Mo04W07O39-0H-iso-231000	Buils, Jordi	ADF; 2019; 304	Geometry optimization	PBE	TZP	-16.46288012; Eh
	19-Mar-2026	/AsMoW As01Mo04W07O39-0H-iso-201651	Buils, Jordi	ADF; 2019; 304	Geometry optimization	PBE	TZP	-16.46216408; Eh
	16-Jul-2024	/M_Fe_N_din6_s/M_Fe_N_din6_s_c3_012/Cd_Fe_N_din6_s_c3_012 rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-608.78652303; eV
	16-Jul-2024	/M_Fe_N_din6_as/M_Fe_N_din6_as_c3_253/Co_Fe_N_din6_as_c3_253 rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-635.80527780; eV

Results 82421-82430 of 104124 (Search time: 0.05 seconds).