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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-4aZo-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-609.91013265; eV
	16-Jan-2026	/FG_dataset/group3S/rh/111 rh-26S1-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-379.29427703; eV
	16-Jan-2026	/FG_dataset/group3S/rh/111 rh-26S2-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-379.41162869; eV
	16-Jan-2026	/FG_dataset/group3S/rh/111 rh-24S1-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-372.81283451; eV
	16-Jan-2026	/FG_dataset/group3S/rh/111 rh-14S1-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-362.62661741; eV
	22-Apr-2024	/CsSnBr3/orthorhombic/PBEsol Optimization	Echeverria, Carlos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Sep 29 2021 13:38:42) complex	Geometry optimization	DFT	-	-71.34933296; eV
	26-Aug-2024	geom116_nox_w7_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-858.5257273; Eh
	6-Sep-2024	/PBE/AsMo As01Mo00O04-3H	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-1.54599137; Eh
	25-Jun-2024	/Intermediates/Cu/110 H2S_2	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-
	18-Jun-2024	/Transition_states/Zn/0001 1301-1201	Morandi, Santiago	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	DFT	-	-

Results 56821-56830 of 104126 (Search time: 0.036 seconds).