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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/group3N/pd/111 pd-4bN5-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-327.80980073; eV
	16-Jan-2026	/FG_dataset/group3N/pd/111 pd-4bN7-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-327.56080612; eV
	16-Jan-2026	/FG_dataset/aromatics/rh/111 rh-8a01-b	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-445.49624649; eV
	16-Jan-2026	/FG_dataset/aromatics/rh/111 rh-8a01-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-445.47632648; eV
	16-Jan-2026	/FG_dataset/aromatics/rh/111 rh-7801-b	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-428.75595950; eV
	26-Aug-2025	/bases/cc_pvtz_d3bj/intermediario_OH opt_intermediario_OH	Dias da Silva, Gabriela	Orca; 3.0.3; RELEASE	Geometry optimization Minimum	DFT	cc-pvtz	-2557.06468305; Eh
	2-Jul-2025	/Bulk_structure/CuWO4_3/surf/101_a 101_a	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-729.95317161; eV
	19-Mar-2026	/AsMoW As01Mo04W07O39-3H-iso-25404978	Buils, Jordi	ADF; 2019; 304	Geometry optimization	PBE	TZP	-16.47154504; Eh
	19-Mar-2026	/AsMoW As01Mo06W03O31-2H-iso-136326	Buils, Jordi	ADF; 2019; 304	Geometry optimization	PBE	TZP	-12.55741791; Eh
	19-Mar-2026	/AsMoW As01Mo06W05O39-1H-iso-18159150	Buils, Jordi	ADF; 2019; 304	Geometry optimization	PBE	TZP	-16.36255436; Eh

Results 82061-82070 of 104124 (Search time: 0.058 seconds).