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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/group3S/rh/111 rh-4aS2-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-412.66269162; eV
	16-Jan-2026	/FG_dataset/group3S/rh/111 rh-4aS1-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-412.67029064; eV
	16-Jan-2026	/FG_dataset/amidines/rh/111 rh-38Z6-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-408.16516926; eV
	16-Jan-2026	/FG_dataset/amidines/rh/111 rh-38Z7-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-407.90963180; eV
	16-Jan-2026	/FG_dataset/amidines/rh/111 rh-38Z5-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-408.43970902; eV
	19-Mar-2026	/V V02O07-2H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-3.18898139; Eh
	19-Mar-2026	/V V05O15-1H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-6.65352832; Eh
	20-Jun-2025	/Mn_proj/Surfaces/112/phonopy/disp_193 disp_193	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-1043.60631464; eV
	26-Aug-2024	geom17_nox2_w9_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-1334.9043226; Eh
	26-Aug-2024	geom10_w9_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-687.9101834; Eh

Results 74651-74660 of 104126 (Search time: 0.046 seconds).