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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-27N2-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-294.53031525; eV
	26-Aug-2025	/funcionais/lpno/intermediario_OH opt_intermediario_OH	Dias da Silva, Gabriela	Orca; 3.0.3; RELEASE	Geometry optimization	-	aug-cc-PVTZ; cc-pVTZ/C	-2554.35435080; Eh
	26-Aug-2025	/funcionais/lpno/OH2 opt_se-met_2OH	Dias da Silva, Gabriela	Orca; 3.0.3; RELEASE	Geometry optimization	-	aug-cc-PVTZ; cc-pVTZ/C	-2630.01686675; Eh
	26-Aug-2025	/funcionais/lpno/OH opt_OH	Dias da Silva, Gabriela	Orca; 3.0.3; RELEASE	Geometry optimization	-	aug-cc-PVTZ; cc-pVTZ/C	-75.41211660; Eh
	16-Jan-2026	/FG_dataset/group3N/pd/111 pd-49N3-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-319.71776533; eV
	16-Jan-2026	/FG_dataset/aromatics/ni/111 ni-55N1-b	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-324.09185213; eV
	15-Sep-2025	/Heptane-cleavage/Heptane-cleavage-stepped-surfaces/RuNi-Ni NiRu-Ni-C3-C4-TS	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-1532.84858409; eV
	19-Mar-2026	/AsMoW As01Mo05W06O39-2H-iso-23950443	Buils, Jordi	ADF; 2019; 304	Geometry optimization	PBE	TZP	-16.42114946; Eh
	19-Mar-2026	/AsMoW As01Mo06W05O39-3H-iso-136370	Buils, Jordi	ADF; 2019; 304	Geometry optimization	PBE	TZP	-16.34920623; Eh
	19-Mar-2026	/AsMoW As01Mo06W05O39-1H-iso-136328	Buils, Jordi	ADF; 2019; 304	Geometry optimization	PBE	TZP	-16.36408057; Eh

Results 83921-83930 of 104124 (Search time: 0.049 seconds).