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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	2-May-2024	subs3-triplet	Solé Daura, Albert	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	GEN	-759.691686753; Eh
	26-Aug-2024	geom166_w7_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-535.0207931; Eh
	2-May-2024	subs3-Z	Solé Daura, Albert	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	GEN	-759.769261754; Eh
	6-Sep-2024	/PBE/V V04O12-2H	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-5.31476969; Eh
	26-Aug-2024	geom56_w9_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-687.9079726; Eh
	16-Jul-2024	/M_Fe_N_din6_s_c4_0123/Au_Fe_N_din6_s_c4_0123 rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-610.35149763; eV
	16-Jul-2024	/M_Fe_N_din6_s_c4_0123/Au_Fe_N_din6_s_c4_0123 dos	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-610.34225170; eV
	16-Jul-2024	/M_Fe_N_din6_s_c4_0123/Au_Fe_N_din6_s_c4_0123 sc	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-610.35149701; eV
	26-Aug-2024	geom103_nox_w5_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-705.6452221; Eh
	26-Aug-2024	geom56_nox_w4_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-629.1961612; Eh

Results 76031-76040 of 104126 (Search time: 0.05 seconds).