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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	17-Jul-2022	/intermediates Cu(711)-1x4-OH	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-236.52013169; eV
	17-Jul-2022	/intermediates Cu(711)-1x4-2CuCO3-1	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-325.79846884; eV
	17-Jul-2022	/intermediates Cu(711)-1x4-Clean	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-225.35091355; eV
	17-Jul-2022	/intermediates Cu(111)-3x3-OH	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-139.34213651; eV
	17-Jul-2022	/intermediates Cu(100)-3x3-Clean	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-125.91518698; eV
	17-Jul-2022	/benchmark-solvation Cu(711)-1x4-2CuCO3-2-H2O	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-280.97326567; eV
	17-Jul-2022	/benchmark-solvation Cu(111)-3x3-2CuCO3-2-H2O	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-184.86791875; eV
	17-Jul-2022	/benchmark-solvation Cu(111)-3x3-2CuCO3-5-H2O	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-229.27580323; eV
	17-Jul-2022	/benchmark-solvation Cu(711)-1x4-CuOH-1-H2O	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-248.18545141; eV
	17-Jul-2022	/benchmark-solvation Cu(111)-3x3-CuCO-3-H2O	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-186.10991059; eV

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