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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	11-Nov-2022	/O-Cl_stability Cu80O37Cl3-02	Ibáñez-Alé, Enric	vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex	Geometry optimization	DFT	-	-518.62182254; eV
	11-Nov-2022	/O-Cl_stability Cu80O37Cl3-05	Ibáñez-Alé, Enric	vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex	Geometry optimization	DFT	-	-521.68231063; eV
	11-Nov-2022	/M_N_din6_as_c0/Ag_N_din6_as_c0 rel_111	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-621.38719031; eV
	11-Nov-2022	/N_din6_as_c0 sc	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-618.51322600; eV
	11-Nov-2022	/O-Cl_stability Cu86O18Cl2-01	Ibáñez-Alé, Enric	vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex	Geometry optimization	DFT	-	-408.66210609; eV
	11-Nov-2022	/O-Cl_stability Cu80O37Cl3-03	Ibáñez-Alé, Enric	vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex	Geometry optimization	DFT	-	-521.28997930; eV
	11-Nov-2022	/Reaction_pathways Cu211-COCOO	Ibáñez-Alé, Enric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-177.28652050; eV
	11-Nov-2022	/O-Cl_stability Cu80O38Cl2-06	Ibáñez-Alé, Enric	vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex	Geometry optimization	DFT	-	-525.75989971; eV
	11-Nov-2022	/O-Cl_stability Cu80O39Cl1-02	Ibáñez-Alé, Enric	vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex	Geometry optimization	DFT	-	-528.88416133; eV
	11-Nov-2022	/O-Cl_stability Cu80O40	Ibáñez-Alé, Enric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-533.96773694; eV

Results 36771-36780 of 103542 (Search time: 0.022 seconds).