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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 NiO(100)-3x3-COOH-U-5_0	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-779.40503948; eV
	30-Sep-2021	/Water/TS_water ch3c6h5-cl-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-731.899495169; Eh
	8-Jan-2020	/OER/3upni mooh	Zhou, Yecheng	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Nov 12 2018 14:56:44) complex	Single point	DFT	-	-787.48522460; eV
	8-Jan-2020	/OER/2upfetop mo	Zhou, Yecheng	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-778.04378060; eV
	8-Jan-2020	/OER/3upni moh	Zhou, Yecheng	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Nov 12 2018 14:56:44) complex	Single point	DFT	-	-783.31598636; eV
	8-Jan-2020	/OER/3upni mo	Zhou, Yecheng	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-777.22785437; eV
	8-Jan-2020	/OER/3upni m	Zhou, Yecheng	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-773.06576898; eV
	8-Jan-2020	/OER/clean m	Zhou, Yecheng	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-709.87482534; eV
	23-Feb-2021	Fe3_4CO	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-1987.08671924; eV
	30-Jun-2020	i351103	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-177.61563830; eV

Results 18611-18620 of 103542 (Search time: 0.012 seconds).