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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	26-Aug-2025	/funcionais/lpno/Cl opt_Cl	Dias da Silva, Gabriela	Orca; 3.0.1; RELEASE	Single point	-	aug-cc-PVTZ; cc-pVTZ/C	-459.57348135; Eh
	26-Feb-2025	/single_point_recalculations_Eel/T25 Mo02O10-6H	Junkers, Laura S.	ADF; 2019	Single point	PBE	TZP	-
	26-Feb-2025	/single_point_recalculations_Eel/T25 Mo02O07-2H	Junkers, Laura S.	ADF; 2019	Single point	PBE	TZP	-
	16-Jan-2026	/FG_dataset/group3N/pd/111 pd-39N2-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-311.55270536; eV
	16-Jan-2026	/FG_dataset/aromatics/ni/111 ni-44S1-b	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-307.13167689; eV
	16-Jan-2026	/FG_dataset/group3N/pd/111 pd-39N3-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-311.18548429; eV
	16-Jan-2026	/FG_dataset/aromatics/ni/111 ni-44S1-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-307.13236076; eV
	26-Aug-2025	/funcionais/b2plyp/OH2 opt_se-met_2OH	Dias da Silva, Gabriela	Orca; 3.0.3; RELEASE	Geometry optimization	DFT	aug-cc-pVTZ; aug-cc-pVTZ/C	-2632.18498417; Eh
	26-Aug-2025	/bases/aug_cc_pvtz/intermediario_O opt_intermediario_O	Dias da Silva, Gabriela	Orca; 3.0.3; RELEASE	Geometry optimization	DFT	aug-cc-pvtz	-2556.69909649; Eh
	26-Aug-2025	/funcionais/b2plyp/OH opt_OH	Dias da Silva, Gabriela	Orca; 3.0.3; RELEASE	Geometry optimization	DFT	aug-cc-pVTZ; aug-cc-pVTZ/C	-75.69029994; Eh

Results 85781-85790 of 104079 (Search time: 0.051 seconds).