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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 Cu80O22H1Cl1-05	Ibáñez-Alé, Enric	vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex	Geometry optimization	DFT	-	-414.54519854; eV
	11-Nov-2022	/O-Cl_stability Cu80O22H1Cl1-04	Ibáñez-Alé, Enric	vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex	Geometry optimization	DFT	-	-414.06442109; eV
	11-Nov-2022	/O-Cl_stability Cu80O25H1Cl1-01	Ibáñez-Alé, Enric	vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex	Geometry optimization	DFT	-	-434.33417613; eV
	11-Nov-2022	/O-Cl_stability Cu80O36Cl4-02	Ibáñez-Alé, Enric	vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex	Geometry optimization	DFT	-	-513.57557523; eV
	11-Nov-2022	/O-Cl_stability Cu80O20Cl3-02	Ibáñez-Alé, Enric	vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex	Geometry optimization	DFT	-	-402.24343067; eV
	11-Nov-2022	/O-Cl_stability Cu80O36Cl4-01	Ibáñez-Alé, Enric	vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex	Geometry optimization	DFT	-	-515.89819305; eV
	11-Nov-2022	/O-Cl_stability Cu80O26	Ibáñez-Alé, Enric	vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex	Geometry optimization	DFT	-	-434.98229759; eV
	16-Feb-2023	/M_S_din6_as_c4_2346/Cu_S_din6_as_c4_2346 rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-612.04035810; eV
	16-Feb-2023	/M_S_din6_as_c3_346/Pd_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	-	-607.82191680; eV
	4-Sep-2023	m06hfSP_TSQ4-7	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM06HF	6-311+G(D,P) SDD GENECP	-1139.5293053; Eh

Results 39341-39350 of 104592 (Search time: 0.025 seconds).