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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	22-Dec-2022	/CO_CO-CO_ads Cu100_3Cl-H	Ibáñez-Alé, Enric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-335.62066006; eV
	1-Mar-2022	Au-3O-2Ce3-31_33	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-853.90455813; eV
	1-Mar-2022	Co-4O-2Ce3-34_36	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-859.24968706; eV
	1-Mar-2022	Au-2O-2Ce3-29_30	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-854.63066092; eV
	1-Mar-2022	Cu-3O-1Ce3-32	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-854.93173140; eV
	1-Mar-2022	Cu-2O-2Ce3-32_34	Geiger, Julian	vasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complex	Geometry optimization	DFT	-	-855.63449635; eV
	16-Feb-2023	/M_S_din6_as_c1_3/Rh_S_din6_as_c1_3 rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-600.37754482; eV
	16-Feb-2023	/M_S_din6_as_c1_3/Ru_S_din6_as_c1_3 rel_111	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-601.04526398; eV
	22-Dec-2022	/CO_CO-CO_ads Cu100_0Cl-H	Ibáñez-Alé, Enric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-323.90821911; eV
	1-Mar-2022	Au-2O-2Ce3-28_35	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-854.62794721; eV

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