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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	26-Aug-2024	geom103_nox_w10_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-1087.8432132; Eh
	26-Aug-2024	geom286_nox_w8_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-934.9615604; Eh
	6-Sep-2024	/PBE/V V02O07-2H	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-3.18898139; Eh
	18-Jun-2024	/Transition_states/Co/0001 2313-2302+0011	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Improved Dimer Method	DFT	-	-
	18-Jun-2024	/Transition_states/Co/0001 2415-2302+0111	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Improved Dimer Method	DFT	-	-
	8-May-2024	/Gaussian_data_GGA H2WO4	Benzidi, Hind	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-311G(D) LANL2DZ GEN	-369.750111918; Eh
	8-May-2024	/Gaussian_data_GGA HWO4	Benzidi, Hind	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-311G(D) LANL2DZ GEN	-369.353834700; Eh
	8-May-2024	/Gaussian_data_GGA VO3	Benzidi, Hind	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RwB97XD	6-311G(D) LANL2DZ GEN	-372.613652; Eh
	16-Jul-2024	/M_Fe_N_din6_s_c3_024/Rh_Fe_N_din6_s_c3_024 dos	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-615.42602709; eV
	6-Sep-2024	/BP86/Ta Ta10O28-1H	Buils, Jordi	ADF; 2019	Single point	BP86	TZP	-

Results 75461-75470 of 104126 (Search time: 0.046 seconds).