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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-25Y1-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-301.93314491; eV
	16-Jan-2026	/FG_dataset/oximes/ni/111 ni-13Y1-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-285.08316907; eV
	19-Mar-2026	/SiW Si01W09O31-2H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-13.29933144; Eh
	19-Mar-2026	/SiW Si00W03O10-0H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-4.34269017; Eh
	17-Jul-2025	h_16_fe_ni3p2	Naeem, Muhammad Saad	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-838.90340075; eV
	17-Jul-2025	h_17_fe_ni3p2	Naeem, Muhammad Saad	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-841.45882038; eV
	28-Aug-2024	SP_obn_an_m1_MeProp	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(D,P)	-501.4936177; Eh
	28-Aug-2024	SP_obn_an_m1_MeButa	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(D,P)	-501.4920305; Eh
	28-Aug-2024	SP_obn_an_m1_PMMA	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(D,P)	-501.4842842; Eh
	28-Aug-2024	SP_obn_an_m2b	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(D,P)	-617.298544; Eh

Results 91121-91130 of 103529 (Search time: 0.054 seconds).