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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	1-Mar-2022	Ag-3O-2Ce3-31_33	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-853.49797383; eV
	1-Mar-2022	Ag-3O-2Ce3-33_36	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-853.47387675; eV
	1-Mar-2022	Ag-3O-1Ce3-36	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-853.47445668; eV
	30-Jun-2023	Ni-4xN6-Ni-4xN6-8.06_24	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-1965.06635072; eV
	30-Jun-2023	Ni-4xN6-Ni-4xN6-6.85_16	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-1965.02934123; eV
	30-Jun-2023	Ni-4xN6-Ni-4xN6-6.85_17	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-1964.99517765; eV
	26-Dec-2022	/mechanism_and_profile/I4 I4-1	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D) LANL2DZ GENECP	-1918.70623420; Eh
	6-Sep-2024	/BP86/Nb Nb10O28-0H	Buils, Jordi	ADF; 2019	Single point	BP86	TZP	-
	1-Mar-2022	Ag-3O-2Ce3-29_31	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-853.53404896; eV
	29-Sep-2025	/Single-points/PBE-111kp/Ovac_subsurface cl-o-geo2	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:25:58) gamma-only	Single point	DFT	-	-750.91660047; eV

Results 22321-22330 of 101953 (Search time: 0.016 seconds).