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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	27-Jul-2021	Nb3O10_0H	Petrus, Enric	ADF; 2019	Geometry optimization	PBE	TZP	-4.66671941; Eh
	1-Mar-2022	Pt-3O-2Ce3-30_33	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-855.74981012; eV
	1-Mar-2022	Pt-3O-2Ce3-30_35	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-856.10583110; eV
	28-Sep-2021	/cation-accumulation Au(111)-3sqrt3x3sqrt3-Ba-Ref-1-t-1281-fs	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Single point	DFT	-	-1387.06980963; eV
	29-Jul-2021	i221102+i111101-i332204+i000000	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-172.83812674; eV
	30-Nov-2022	/Oxygen-vacancies/x-ZnZrOx-slab/m-ZnZrOx-1vac/Zn-surf-m-ZnZrOx-1vac m3-m-ZnZrOx-vac-s-12	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-433.64188132; eV
	18-Oct-2020	Cu(111)-E-014	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-47.81317394; eV
	27-Jul-2021	Nb8O25_5H	Petrus, Enric	ADF; 2019	Geometry optimization	PBE	TZP	-11.82975539; Eh
	27-Jul-2021	Nb8O25_4H	Petrus, Enric	ADF; 2019	Geometry optimization	PBE	TZP	-11.82548484; Eh
	27-Jul-2021	Nb3O10_1H	Petrus, Enric	ADF; 2019	Geometry optimization	PBE	TZP	-4.69385641; Eh

Results 57651-57660 of 104126 (Search time: 0.033 seconds).