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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/group2b/os/0001 os-4a12-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-599.10639392; eV
	16-Jan-2026	/FG_dataset/group2b/pd/111 pd-4811-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-314.14421515; eV
	16-Jan-2026	/FG_dataset/group2b/pd/111 pd-3611-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-297.46739770; eV
	2-Feb-2026	/Interfaces-MLIP/DFT-single-points/CeO₂-M/CeO₂-Pt CeO₂-Pt-13vac	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Single point	DFT	-	-486.49703939; eV
	19-Mar-2026	/PMoW P01Mo02W09O39-2H-iso-3604	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-16.77597165; Eh
	19-Mar-2026	/PMoW P01Mo02W01O13-0H-iso-2	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-5.37809227; Eh
	17-Jul-2025	h_23_ni3p2	Naeem, Muhammad Saad	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-857.83968259; eV
	17-Jul-2025	h_24_ni3p2	Naeem, Muhammad Saad	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-860.66030177; eV
	17-Jul-2025	h_22_ni3p2	Naeem, Muhammad Saad	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-854.94834605; eV
	17-Sep-2024	TcO4_nmr_h3cn	Buils, Jordi	AMS; 2021.101; r94406	Single point NMR	OPBE	TZ2P	-55.008092; eV

Results 99341-99350 of 103542 (Search time: 0.053 seconds).