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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	16-Feb-2023	/M_S_din6_as_c4_2346/Pd_S_din6_as_c4_2346 rel_111	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-613.70168118; eV
	21-Nov-2022	C2H3Cl-CuCl-epo2	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-2052.43330191; eV
	14-Nov-2022	/Reaction_pathways Cu110_Cl-COCHO	Ibáñez-Alé, Enric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-141.17749441; eV
	11-Nov-2022	/O-Cl_stability Cu80O20Cl4-02	Ibáñez-Alé, Enric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-408.14502265; eV
	14-Nov-2022	/Reaction_pathways Cu110_Cl-CO2	Ibáñez-Alé, Enric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-128.90357268; eV
	11-Nov-2022	/O-Cl_stability Cu80O34Cl6-01	Ibáñez-Alé, Enric	vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex	Geometry optimization	DFT	-	-509.16822354; eV
	11-Nov-2022	/O-Cl_stability Cu80O18Cl2-02	Ibáñez-Alé, Enric	vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex	Geometry optimization	DFT	-	-386.80126431; eV
	11-Nov-2022	/O-Cl_stability Cu80O20Cl2-02	Ibáñez-Alé, Enric	vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex	Geometry optimization	DFT	-	-400.51205042; eV
	11-Nov-2022	/O-Cl_stability Cu80O20Cl2-01	Ibáñez-Alé, Enric	vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex	Geometry optimization	DFT	-	-399.25376722; eV
	11-Nov-2022	/O-Cl_stability Cu80O18Cl2-01	Ibáñez-Alé, Enric	vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex	Geometry optimization	DFT	-	-387.27793618; eV

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