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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	5-May-2020	pourbaix-6L-ox	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-1903.27049034; eV
	5-May-2020	pourbaix-4R-red	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-only	Geometry optimization	DFT	-	-1807.73013324; eV
	19-Jan-2022	/benchmark-CO-adsorption Ni(100)-3x3-BEEF-CO-fcc	Dattila, Federico	vasp; 5.3.5; 31Mar14 (build May 05 2016 10:50:16) complex	Geometry optimization	DFT	-	-305.45427351; eV
	5-May-2020	pourbaix-4T-red	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-only	Geometry optimization	DFT	-	-1807.23363674; eV
	5-May-2020	pourbaix-6L-red	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-only	Geometry optimization	DFT	-	-1795.27939910; eV
	5-May-2020	pourbaix-SY-red	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-only	Geometry optimization	DFT	-	-1439.01903968; eV
	5-May-2020	pourbaix-4R-ox-sol-on	Dattila, Federico	vasp; 5.3.5; 31Mar14 (build Jun 18 2014 16:11:06) complex	Geometry optimization	DFT	-	-1918.12394716; eV
	5-May-2020	pourbaix-4T-ox-sol-on	Dattila, Federico	vasp; 5.3.5; 31Mar14 (build Jun 18 2014 16:11:06) complex	Geometry optimization	DFT	-	-1920.21716938; eV
	19-Jan-2022	/benchmark-CO-adsorption Ni(100)-3x3-PBE-CO-bridge	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-385.57600623; eV
	19-Jan-2022	/benchmark-CO-adsorption Ni(100)-3x3-PBE-CO-top	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-385.33577978; eV

Results 731-740 of 5325 (Search time: 0.003 seconds).