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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	12-Mar-2021	/hubbard-correction Cu(100)-2x2-10l-CO-T-U-2_00-C	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-163.05299698; eV
	12-Mar-2021	/hubbard-correction Cu(100)-2x2-10l-CO-T-U-2_00-O	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-162.88229248; eV
	12-Mar-2021	/hubbard-correction Cu(100)-2x2-10l-CO-B-U-2_00-O	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-162.93877899; eV
	12-Mar-2021	/hubbard-correction Cu(100)-2x2-4l-CO-T-U-1_25-O	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-71.52404346; eV
	12-Aug-2021	/redCO2 Cu(111)-SnO3-COOH	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-248.27523303; eV
	12-Aug-2021	/redCO2 Cu(111)-SnO3-CO	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-237.69487077; eV
	12-Aug-2021	/redCO2 Cu(100)-1Sn-Clean	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-196.24392500; eV
	12-Aug-2021	/redCO2 Cu(100)-SnO4-COOH	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-252.51517311; eV
	12-Aug-2021	/redCO2 Cu6Sn5(102)-Clean	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-335.68242727; eV
	28-Sep-2021	/cation-accumulation Au(111)-3sqrt3x3sqrt3-Nd-t-1501-fs	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Single point	DFT	-	-1399.31436848; eV

Results 2601-2610 of 5271 (Search time: 0.005 seconds).