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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	27-Jul-2021	Nb2O7_0H	Petrus, Enric	ADF; 2019	Geometry optimization	PBE	TZP	-3.26661780; Eh
	1-Mar-2022	Pt-3O-2Ce3-30_34	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-856.50313523; eV
	1-Mar-2022	Pt-3O-2Ce3-30_36	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-855.79725905; eV
	1-Jun-2022	PtCl2_4xN6	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-1321.92194482; eV
	28-Sep-2021	/cation-accumulation Au(111)-3sqrt3x3sqrt3-Ba-Ref-1-t-1601-fs	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Single point	DFT	-	-1386.97142904; eV
	18-Oct-2020	Cu(111)-E-013	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-47.81196958; eV
	18-Oct-2020	Cu(111)-E-011	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-47.80979983; eV
	18-Oct-2020	Cu(111)-E-012	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-47.81084800; eV
	27-Jul-2021	NbO5_3H	Petrus, Enric	ADF; 2019	Geometry optimization	PBE	TZP	-2.44004212; Eh
	27-Jul-2021	Nb2O7_2H	Petrus, Enric	ADF; 2019	Geometry optimization	PBE	TZP	-3.32148541; Eh

Results 57641-57650 of 104126 (Search time: 0.037 seconds).