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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	7-Mar-2024	SP_C19	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(D,P)	-963.9740526; Eh
	14-Jun-2024	/Au25_clusters/Au25-charged Au23Ag2ks_SH-t_charged	Ibáñez-Alé, Enric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-
	14-Jun-2024	/Au25_clusters/Au25-charged Au23Ag2s_00-c_charged	Ibáñez-Alé, Enric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-
	20-Jun-2025	/Mn_proj/Surfaces/112/phonopy/disp_209 disp_209	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-1043.60876351; eV
	14-Feb-2022	/intermediates-electric-field Cu(111)-6x6-CuCO-E-p01	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-571.63122315; eV
	14-Feb-2022	/intermediates-electric-field Cu(711)-1x6-H-E-p01	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-341.69469545; eV
	14-Feb-2022	/intermediates-electric-field Cu(711)-1x6-H-E-00	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-341.65422439; eV
	1-Mar-2023	/Minima_Calculations/W03O11H2_intwlineal W03O11H2_intwlineal	Petrus, Enric	ADF; 2019	Geometry optimization	PBE	TZP	-4.87324156; Eh
	1-Mar-2023	/Minima_Calculations/W05O16H2_int W05O16H2_int	Petrus, Enric	ADF; 2019	Geometry optimization	PBE	TZP	-6.78697693; Eh
	1-Mar-2023	/Minima_Calculations/W04O14H1_int W04O14H1_int	Petrus, Enric	ADF; 2019	Geometry optimization	PBE	TZP	-6.17176154; Eh

Results 49431-49440 of 104124 (Search time: 0.03 seconds).