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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	19-Mar-2026	/V V06O18-1H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-7.97957564; Eh
	19-Mar-2026	/V V05O14-0H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-6.08379691; Eh
	20-Jun-2025	/Mn_proj/Surfaces/112/phonopy/disp_161 disp_161	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-1043.60808082; eV
	25-Jun-2024	/Intermediates/Au/100 C3H8	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-204.42434270; eV
	18-Jun-2024	/Transition_states/Rh/111 2212-1111+1101	Morandi, Santiago	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Geometry optimization	DFT	-	-
	16-Jan-2026	/FG_dataset/group3S/au/111 au-4aS1-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-229.02769167; eV
	16-Jan-2026	/FG_dataset/group3S/au/111 au-4aS3-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-229.05140398; eV
	16-Jan-2026	/FG_dataset/amidines/ir/111 ir-38Z4-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-482.87566972; eV
	16-Jan-2026	/FG_dataset/amidines/ir/111 ir-38Z5-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-482.88690192; eV
	19-Mar-2026	/Adsorptions/FF FF-Ag-10S	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-304.76328981; eV

Results 76451-76460 of 104126 (Search time: 0.051 seconds).