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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	2-Jul-2025	/Bulk_structure/W/SCF SCF	Benzidi, Hind	vasp; 6.3.0; 20Jan22 (build Feb 3 2022 13:31:30) complex	Single point	DFT	-	-4.05722773; eV
	2-Jul-2025	/Bulk_structure/W W	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-19732.82242268; eV
	2-Jul-2025	/Bulk_structure/WO4 WO4	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Jun 12 2024 12:22:38) complex	Single point	DFT	-	-
	16-Jan-2026	/FG_dataset/group3N/ni/111 ni-39N2-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-321.13947698; eV
	16-Jan-2026	/FG_dataset/group3N/ni/111 ni-37N5-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-313.30483138; eV
	16-Jan-2026	/FG_dataset/group3N/ni/111 ni-39N1-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-321.09850907; eV
	16-Jan-2026	/FG_dataset/aromatics/rh/111 rh-66S1-b	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-416.37678014; eV
	16-Jan-2026	/FG_dataset/aromatics/rh/111 rh-66S1-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-416.43880230; eV
	16-Jan-2026	/FG_dataset/aromatics/rh/111 rh-6611-b	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-418.67221296; eV
	26-Aug-2025	/funcionais/lpno/sp_lpno_geomb3lyp/Cl_OH opt_se-met_Cl-OH	Dias da Silva, Gabriela	Orca; 3.0.3; RELEASE	Single point	-	aug-cc-pVTZ; cc-pVTZ/C	-3014.10079208; Eh

Results 83291-83300 of 104124 (Search time: 0.05 seconds).