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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 OD-Cu-277-CO-top	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-1889.92250074; eV
	10-Jul-2022	/redCO2 OD-Cu-277-O-top	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-1879.80710777; eV
	12-Mar-2022	b110_surf-peroxo-cov_075-pt_ads-xps-o42	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-730.24606305; eV
	3-Mar-2022	c100_surf-peroxo-cov_075-pt_ads	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-399.22743855; eV
	3-Mar-2022	c100_surf-peroxo-cov_100-geo_opt	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-398.57851306; eV
	10-Jul-2022	/redCO2 OD-Cu-288-CO-top	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-1890.08659532; eV
	10-Jul-2022	/redCO2 OD-Cu-263-CO-top	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-1889.90239492; eV
	12-Mar-2022	b110_surf-peroxo-cov_075-pt_ads-xps-icorelvl0	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-595.06032340; eV
	12-Mar-2022	b110_surf-peroxo-cov_075-pt_ads-xps-o41	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-732.82529572; eV
	12-Mar-2022	b110_surf-peroxo-cov_075-geo_opt-xps-o50	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-725.25788732; eV

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