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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	16-Jan-2026	/FG_dataset/oximes/ni/111 ni-37Y1-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-318.15109607; eV
	16-Jan-2026	/FG_dataset/oximes/ni/111 ni-25Y2-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-301.87694905; eV
	2-Jul-2025	/Defects_222/2Ii_out/vsn/H2O_OH H2O_OH	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-4098.71672141; eV
	2-Jul-2025	/Defects_222/2Ii_out 2Ii_out	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-4215.64230103; eV
	2-Jul-2025	/Defects_222/2Ii_out/vsn vsn	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-4087.60443470; eV
	19-Mar-2026	/SiW Si01W03O13-0H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-5.59356576; Eh
	28-Aug-2024	SP_flobn_meoh_MeButa	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(D,P)	-1272.8063256; Eh
	28-Aug-2024	SP_flobn_meoh_PMMA	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(D,P)	-1272.8051915; Eh
	28-Aug-2024	SP_fl_rad_MeButa	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-311+G(D,P)	-771.3861169; Eh
	28-Aug-2024	SP_flobn_MeButa	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(D,P)	-1157.0205708; Eh

Results 90411-90420 of 103529 (Search time: 0.047 seconds).