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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	10-Jul-2022	/redCO2 Cu(100)-p(3x3)-H	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-324.08636050; eV
	10-Jul-2022	/redCO2 Cu(100)-p(3x3)-H2O	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-334.94085349; eV
	10-Jul-2022	/redCO2 Cu(100)-p(3x3)-HCO2	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-347.13255825; eV
	10-Jul-2022	/redCO2 Cu(100)-p(3x3)-OH	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-331.55469052; eV
	10-Jul-2022	/redCO2 Cu(100)-p(3x3)-CH	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-332.57826225; eV
	4-Aug-2022	/Sampling pris-4O-surfvac-2ce3_subspol-pos_19_24-gamma	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-843.31236036; eV
	4-Aug-2022	/Sampling pris-4O-surfvac-2ce3_subspol-pos_19_22-gamma	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-843.48613241; eV
	4-Aug-2022	/Sampling pris-4O-surfvac-2ce3_subspol-pos_19_23-gamma	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-843.89518584; eV
	4-Aug-2022	/Sampling pris-4O-surfvac-2ce3_subspol-pos_19_26-gamma	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-843.10752706; eV
	4-Aug-2022	/Sampling pris-4O-surfvac-2ce3_subspol-pos_19_25-gamma	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-842.98337939; eV

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