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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	19-Jan-2022	/benchmark-Hubbard Ni(100)-3x3-COOH-PBE	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-395.89569520; eV
	19-Jan-2022	/benchmark-Hubbard Ni(100)-3x3-CH2-PBE	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-385.40293586; eV
	19-Jan-2022	/benchmark-Hubbard Ni(100)-3x3-CH-PBE	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-382.12205319; eV
	19-Jan-2022	/benchmark-Hubbard Ni(100)-3x3-C-PBE	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-378.46200625; eV
	3-May-2020	uo2_no3_h2o_py_oh	Petrus, Enric	ADF; 2016	Geometry optimization	PBE	TZP	-
	5-May-2020	6L-red-(Oₛₛ)OCCO-site-8	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-only	Geometry optimization	DFT	-	-1860.21890924; eV
	5-May-2020	6L-red-(Oₛₛ)OCCO-site-7	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-only	Geometry optimization	DFT	-	-1858.84774116; eV
	31-Jan-2020	CuFe-ss	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-1909.05895195; eV
	19-Jan-2022	/benchmark-Hubbard NiO(100)-3x3-C-U-6_3	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-740.97172302; eV
	19-Jan-2022	/benchmark-Hubbard NiO(100)-3x3-C-U-5_0	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-757.62655367; eV

Results 34271-34280 of 104582 (Search time: 0.023 seconds).