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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	7-Mar-2021	Cu(100)-3x3-COOH	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-278.15127893; eV
	27-Jun-2023	SP_tsF1rot	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(D,P) SDD GENECP	-1819.343115; Eh
	29-Jul-2021	Nb8O25_2H	Petrus, Enric	ADF; 2019	Geometry optimization	PBE	TZP	-11.77938308; Eh
	29-Jul-2021	V01O5_5H	Petrus, Enric	ADF; 2019	Geometry optimization	PBE	TZP	-2.36305573; Eh
	7-Mar-2021	4O-doped-Ni(100)-3x3-CH-C(CH3)2	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-451.67928060; eV
	7-Mar-2021	4O-doped-Ni(100)-3x3-CH-CHCH2CH3	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-451.78248479; eV
	7-Mar-2021	1O-doped-Ni(100)-3x3-CH-CHCH2CH3	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-437.32853903; eV
	7-Mar-2021	2O-doped-Ni(100)-3x3-CH-CHCH2CH3	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-443.46059056; eV
	7-Mar-2021	3O-doped-Ni(100)-3x3-CH-CHCH2CH3	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-448.85134701; eV
	7-Mar-2021	NiO(100)-3x3-CH-CHCH2CH3	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-795.75538887; eV

Results 62691-62700 of 104471 (Search time: 0.036 seconds).