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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-2Ce3-32_36	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-853.47176442; eV
	30-Jun-2023	Pd-3xN6-Ni-3xN6-7.37_12	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-1978.01709148; eV
	30-Jun-2023	Pd-3xN6-Ni-3xN6-8.86_16	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-1977.99181050; eV
	20-Dec-2022	PdCl_AC_epo2	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-2022.21772946; eV
	26-Dec-2022	/mechanism_and_profile/TS2 TS2_SP	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	CC-PVTZ AUG-CC-PVTZ GENECP	-2291.0855189; Eh
	6-Sep-2024	/BP86/Nb Nb10O28-2H	Buils, Jordi	ADF; 2019	Single point	BP86	TZP	-
	6-Sep-2024	/BP86/Nb Nb10O28-1H	Buils, Jordi	ADF; 2019	Single point	BP86	TZP	-
	29-Sep-2025	/Single-points/PBE-111kp/Ovac_surface cl-m-c-zro2	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:25:58) gamma-only	Single point	DFT	-	-813.99941597; eV
	20-Dec-2022	PdCl2_AC_epo2	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-2025.02729894; eV
	26-Dec-2022	/mechanism_and_profile/TS3 TS3r_SP	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	CC-PVTZ AUG-CC-PVTZ GENECP	-2883.5118504; Eh

Results 22261-22270 of 101953 (Search time: 0.016 seconds).