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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	10-Jul-2022	/solvation sol-on-Cu(100)-p(3x3)-OCHCH2	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Nov 7 2017 12:03:20) complex	Geometry optimization	DFT	-	-349.47247857; eV
	10-Jul-2022	/solvation sol-off-Cu(100)-p(3x3)-COCO2	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Nov 7 2017 12:03:20) complex	Geometry optimization	DFT	-	-351.42041093; eV
	10-Jul-2022	/solvation sol-on-Cu(100)-p(3x3)-CO2CO2	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Nov 7 2017 12:03:20) complex	Geometry optimization	DFT	-	-359.82782500; eV
	10-Jul-2022	/solvation sol-off-Cu(100)-p(3x3)-COCOH	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Nov 7 2017 12:03:20) complex	Geometry optimization	DFT	-	-347.27522551; eV
	10-Jul-2022	/solvation sol-on-Cu(100)-p(3x3)-COCO2	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Nov 7 2017 12:03:20) complex	Geometry optimization	DFT	-	-351.81716995; eV
	10-Jul-2022	/solvation sol-off-Cu(100)-p(3x3)-COCO	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Nov 7 2017 12:03:20) complex	Geometry optimization	DFT	-	-344.00038197; eV
	10-Jul-2022	/solvation sol-on-Cu(100)-p(3x3)-COCOH	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Nov 7 2017 12:03:20) complex	Geometry optimization	DFT	-	-347.65516723; eV
	10-Jul-2022	/solvation sol-off-Cu(100)-p(3x3)-OCCHOH	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Nov 7 2017 12:03:20) complex	Geometry optimization	DFT	-	-351.98847632; eV
	10-Jul-2022	/solvation sol-on-Cu(100)-p(3x3)-OCCHOH	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Nov 7 2017 12:03:20) complex	Geometry optimization	DFT	-	-352.25408479; eV
	10-Jul-2022	/solvation sol-on-Cu(100)-p(3x3)-OCHCH3	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Nov 7 2017 12:03:20) complex	Geometry optimization	DFT	-	-352.99286322; eV

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