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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/rh/111 rh-4aZf-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-424.89392612; eV
	16-Jan-2026	/FG_dataset/amidines/rh/111 rh-4aZe-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-424.84240628; eV
	16-Jan-2026	/FG_dataset/group3S/au/111 au-12S1-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-171.33167193; eV
	26-Aug-2024	geom5_aa_A_LLT_631Gd	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RBP86	6-31G(D)	-6869.8019156; Eh
	6-Sep-2024	/PBE/Nb Nb05O16-1H	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-7.52311255; Eh
	18-Jun-2024	/Transition_states/Rh/111 2611-2513	Morandi, Santiago	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Geometry optimization	DFT	-	-
	18-Jun-2024	/Transition_states/Rh/111 2512-2413	Morandi, Santiago	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Geometry optimization	DFT	-	-
	18-Jun-2024	/Transition_states/Rh/111 2211-2111	Morandi, Santiago	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Geometry optimization	DFT	-	-
	16-Jan-2026	/FG_dataset/amidines/rh/111 rh-4aZh-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-424.52067287; eV
	19-Mar-2026	/Mo Mo04O18-8H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-8.07579407; Eh

Results 76541-76550 of 104126 (Search time: 0.045 seconds).