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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	6-Sep-2024	/BP86/Nb H2O	Buils, Jordi	ADF; 2019	Single point	BP86	TZP	-
	25-Jun-2024	/Intermediates/Pt/110 C4H10N2_18	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-505.50163914; eV
	25-Jun-2024	/Intermediates/Rh/110 C4H9NO_8	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-575.91369774; eV
	25-Jun-2024	/Intermediates/Ni/110 C4H8O_1	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-442.72829110; eV
	25-Jun-2024	/Intermediates/Ir/110 C4H8S	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-670.11465999; eV
	6-Sep-2024	/BP86/V V10O28-1H	Buils, Jordi	ADF; 2019	Single point	BP86	TZP	-
	14-Jun-2024	/Au144_clusters/Au144 Au143Cuk_00-2	Ibáñez-Alé, Enric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-
	30-Jun-2023	Pd-3xN6-Ni-4xN6-7.20_14	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-1970.85559012; eV
	30-Jun-2023	Pd-3xN6-Ni-4xN6-6.99_13	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-1970.69952920; eV
	20-Jun-2025	/Mn_proj/Surfaces/112/phonopy/disp_166 disp_166	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-1043.61374456; eV

Results 39651-39660 of 103928 (Search time: 0.02 seconds).