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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	5-May-2020	Odes-CuₘOₙ₋₁-site-6-sol-on	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Nov 7 2017 12:03:20) complex	Geometry optimization	DFT	-	-1803.10234144; eV
	5-May-2020	Odes-CuₘOₙ₋₁-site-7-sol-on	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Nov 7 2017 12:03:20) complex	Geometry optimization	DFT	-	-1790.85290589; eV
	5-May-2020	pourbaix-4R-red-sol-off	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Nov 7 2017 12:03:20) complex	Geometry optimization	DFT	-	-1807.74578032; eV
	5-May-2020	pourbaix-6L-red-sol-off	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Nov 7 2017 12:03:20) complex	Geometry optimization	DFT	-	-1795.28631302; eV
	5-May-2020	freq-OCCO-symmetric-2	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Frequencies	DFT	-	-1872.15104435; eV
	5-May-2020	freq-OCCO-symmetric-3	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Frequencies	DFT	-	-1872.57769250; eV
	5-May-2020	freq-OCCO-symmetric-1	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Frequencies	DFT	-	-1872.42755184; eV
	5-May-2020	freq-OCCO-asymmetric-2	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Frequencies	DFT	-	-1871.14510493; eV
	5-May-2020	freq-glyoxylate-3	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Frequencies	DFT	-	-1872.12922455; eV
	5-May-2020	freq-glyoxylate-5	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Frequencies	DFT	-	-1859.99591914; eV

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