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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	12-Aug-2021	/redCO2 Cu(111)-SnO3-H	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-225.50201652; eV
	12-Aug-2021	/redCO2 Cu(111)-Clean	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-197.30491366; eV
	12-Aug-2021	/redCO2 Cu(100)-SnO4-H	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-229.73999798; eV
	12-Aug-2021	/redCO2 Sn(100)-Clean	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-100.28032059; eV
	10-Dec-2021	/redCO2 SnO(001)-Sn(100)-AS-1-HCOO	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-1152.36161624; eV
	10-Dec-2021	/AIMD SnO2(110)-Sn(100)-AIMD-it-3	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Ab-Initio Molecular Dynamics	DFT	-	-954.92965721; eV
	10-Dec-2021	/redCO2 SnO(001)-Sn(100)-AS-3-CO	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-1140.71419358; eV
	10-Dec-2021	/redCO2 SnO(001)-Sn(100)-AS-2-H	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-1128.23024938; eV
	10-Dec-2021	/AIMD SnO(001)-Sn(100)-AIMD-it-2	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Ab-Initio Molecular Dynamics	DFT	-	-1034.22590624; eV
	10-Dec-2021	/redCO2 SnO(001)-Sn(100)-AS-2-COOH	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-1151.43181240; eV

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