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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	25-Apr-2024	/Ag/111/Li_3_H2O/H_ sol_vs37_on	Seemakurthi, Ranga Rohit	vasp; 5.3.5; 31Mar14 (build Jun 18 2014 16:11:06) complex	Geometry optimization	DFT	-	-239.81159449; eV
	16-Jul-2024	/M_Fe_N_din6_s_c3_012/Co_Fe_N_din6_s_c3_012 rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-615.43484535; eV
	16-Jul-2024	/M_Fe_N_din6_s_c3_013/Fe_Fe_N_din6_s_c3_013 dos	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-616.23430650; eV
	19-Mar-2026	/PW P02W05O23-1H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-9.83877462; Eh
	19-Mar-2026	/PW P00W04O15-2H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-6.69513799; Eh
	26-Aug-2024	geom17_nox_w6_nodisp_HLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-311G(D,P)	-782.3568277; Eh
	26-Aug-2024	geom61_nox_w7_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-858.5242186; Eh
	26-Aug-2024	geom17_nox_w6_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-782.0938685; Eh
	26-Aug-2024	geom61_nox_w6_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-782.0808731; Eh
	26-Aug-2024	geom2_w8_HLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-311G(D,P)	-611.7794541; Eh

Results 76371-76380 of 104126 (Search time: 0.078 seconds).