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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-13N1-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-269.84969462; eV
	16-Jan-2026	/FG_dataset/group3N/pd/111 pd-15N1-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-278.11837202; eV
	26-Aug-2025	/funcionais/lpno/intermediario_O opt_intermediario_O	Dias da Silva, Gabriela	Orca; 3.0.1; RELEASE	Geometry optimization	-	aug-cc-PVTZ; cc-pVTZ/C	-2553.95884685; Eh
	26-Aug-2025	/funcionais/lpno/SH2 opt_se-met_2SH	Dias da Silva, Gabriela	Orca; 3.0.3; RELEASE	Geometry optimization	-	aug-cc-PVTZ; cc-pVTZ/C	-3275.34888296; Eh
	2-Jul-2025	/Bulk_structure/WO2/phonon phonon	Benzidi, Hind	vasp; 6.3.0; 20Jan22 (build Feb 3 2022 13:31:30) complex	Single point	DFT	-	-21.81152132; eV
	2-Jul-2025	/Bulk_structure/WO2/SCF SCF	Benzidi, Hind	vasp; 6.3.0; 20Jan22 (build Feb 3 2022 13:31:30) complex	Single point	DFT	-	-1.28828760; eV
	2-Jul-2025	/Bulk_structure/OH/SCF SCF	Benzidi, Hind	vasp; 6.3.0; 20Jan22 (build Feb 3 2022 13:31:30) complex	Single point	DFT	-	-6.40660210; eV
	26-Feb-2025	/single_point_recalculations_Eel/T25 Mo03O10-2H	Junkers, Laura S.	ADF; 2019	Single point	PBE	TZP	-
	26-Feb-2025	/single_point_recalculations_Eel/T25 Mo02O10-8H	Junkers, Laura S.	ADF; 2019	Single point	PBE	TZP	-
	26-Feb-2025	/single_point_recalculations_Eel/T25 Mo02O10-7H	Junkers, Laura S.	ADF; 2019	Single point	PBE	TZP	-

Results 84531-84540 of 104079 (Search time: 0.052 seconds).