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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/pd/111 pd-4aZg-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-332.16323683; eV
	16-Jan-2026	/FG_dataset/amidines/pd/111 pd-4aZh-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-332.34173697; eV
	16-Jan-2026	/FG_dataset/group3S/pt/111 pt-26S1-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-328.42023019; eV
	16-Jan-2026	/FG_dataset/group3S/ni/111 ni-24S1-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-289.70578948; eV
	16-Jan-2026	/FG_dataset/group3S/pt/111 pt-14S1-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-311.74848069; eV
	19-Mar-2026	/Energy-profiles/FF-to-HF/FF-to-dl-HF-Ag-3S FFH-FF-Ag-3S(111)	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-350.01023681; eV
	19-Mar-2026	/PW P01W02O11-3H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-4.81332277; Eh
	26-Aug-2024	geom111_nox_w5_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-705.6440043; Eh
	26-Aug-2024	geom17_nox_w8_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-934.9632329; Eh
	26-Aug-2024	geom61_w7_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-535.0277186; Eh

Results 76351-76360 of 104126 (Search time: 0.046 seconds).