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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/amidines/os/0001 os-4aZ5-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-610.34975415; eV
	16-Jan-2026	/FG_dataset/amidines/os/0001 os-4aZ6-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-609.62420759; eV
	16-Jan-2026	/FG_dataset/amides/pd/111 pd-25X2-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-294.14289928; eV
	16-Jan-2026	/BM_dataset/plastics/pt PPst	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-1388.49754587; eV
	16-Jan-2026	/BM_dataset/plastics/pt PPit	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-1388.20404055; eV
	19-Mar-2026	/VMo V00Mo02O07-2H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-2.92781491; Eh
	19-Mar-2026	/W W05O17-2H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-7.42489847; Eh
	25-Jun-2024	/Intermediates/Rh/100 C4H8S_2	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-398.09068836; eV
	25-Jun-2024	/Intermediates/Co/10m11 CH3_3	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-
	25-Jun-2024	/Intermediates/Pt/100 HN	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-

Results 53581-53590 of 104126 (Search time: 0.035 seconds).