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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	16-Feb-2021	/CO2-adsorption CO₂-au-H2O-Na-CO2-t-5912-fs	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-1422.86596931; eV
	16-Feb-2021	/CO2-adsorption CO₂-au-H2O-Na-CO2-t-5913-fs	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-1423.11086744; eV
	16-Feb-2021	/CO2-adsorption CO₂-au-H2O-Na-CO2-t-5914-fs	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-1423.36943154; eV
	16-Feb-2021	/CO2-adsorption CO₂-ref-au-H2O-CO2-t-2981-fs	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-1402.52405543; eV
	16-Feb-2021	/CO2-adsorption CO₂-ref-au-H2O-CO2-t-2990-fs	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-1402.26153224; eV
	16-Feb-2021	/CO2-adsorption CO₂-ref-au-H2O-K-CO2-t-5950-fs	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-1401.32019100; eV
	16-Feb-2021	/CO2-adsorption CO₂-ref-au-H2O-CO2-t-2982-fs	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-1402.41613502; eV
	16-Feb-2021	/CO2-adsorption CO₂-ref-au-H2O-CO2-t-2991-fs	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-1402.26670516; eV
	16-Feb-2021	/CO2-adsorption CO₂-ref-au-H2O-CO2-t-2983-fs	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-1402.17333994; eV
	28-Sep-2021	/cation-accumulation Au(111)-3sqrt3x3sqrt3-Li-t-1941-fs	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Single point	DFT	-	-1404.04973697; eV

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