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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 Cu80O24Cl2-03	Ibáñez-Alé, Enric	vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex	Geometry optimization	DFT	-	-426.94062129; eV
	11-Nov-2022	/O-Cl_stability Cu80O34Cl6-02	Ibáñez-Alé, Enric	vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex	Geometry optimization	DFT	-	-510.30307589; eV
	16-Feb-2023	/M_S_din6_as_c3_346/Pt_S_din6_as_c3_346 rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-609.23611487; eV
	14-Nov-2022	/Reaction_pathways Cu110_Cl-COCOO	Ibáñez-Alé, Enric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-145.32539443; eV
	11-Nov-2022	/O-Cl_stability Cu80O24H1Cl2-01	Ibáñez-Alé, Enric	vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex	Geometry optimization	DFT	-	-429.08364279; eV
	11-Nov-2022	/O-Cl_stability Cu80O22H1Cl1-01	Ibáñez-Alé, Enric	vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex	Geometry optimization	DFT	-	-414.42255745; eV
	11-Nov-2022	/O-Cl_stability Cu80O17Cl3-01	Ibáñez-Alé, Enric	vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex	Geometry optimization	DFT	-	-382.62539623; eV
	4-Sep-2023	m06hfSP_TSI4-5	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM06HF	6-311+G(D,P) SDD GENECP	-1060.9116084; Eh
	11-Nov-2022	/O-Cl_stability Cu80O19Cl1-03	Ibáñez-Alé, Enric	vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex	Geometry optimization	DFT	-	-390.18612898; eV
	16-Feb-2023	/M_S_din6_as_c4_2346/Cd_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	-	-608.45146532; eV

Results 32171-32180 of 104512 (Search time: 0.025 seconds).