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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	25-Jun-2024	/Intermediates/Au/111 S	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-
	26-Aug-2024	geom34_nox_w5_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-705.6522106; Eh
	16-Jan-2026	/FG_dataset/amidines/os/0001 os-4aZe-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-609.95714086; eV
	16-Jan-2026	/FG_dataset/amides/au/111 au-25X1-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-202.80946332; eV
	16-Jan-2026	/BM_dataset/polyurethanes/au mol17	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-760.07426811; eV
	16-Jan-2026	/BM_dataset/polyurethanes/au mol18	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-759.99216945; eV
	16-Jul-2024	/M_Fe_C_din6_s_c6/Rh_Fe_C_din6_s_c6 dos	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-614.24317983; eV
	19-Mar-2026	/VMo V01Mo09O34-1H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-14.36817919; Eh
	19-Mar-2026	/W W10O32-2H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-13.77792086; Eh
	19-Mar-2026	/W W02O07-0H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-3.08328152; Eh

Results 54541-54550 of 104126 (Search time: 0.033 seconds).