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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	14-Nov-2022	/Reaction_pathways Cu100-CH	Ibáñez-Alé, Enric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-332.57739129; eV
	21-Nov-2022	TSR1	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 31 2018 20:07:36) complex	Single point	DFT	-	-2044.26691631; eV
	11-Nov-2022	/O-Cl_stability Cu80O22H1Cl1-03	Ibáñez-Alé, Enric	vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex	Geometry optimization	DFT	-	-414.05800824; eV
	11-Nov-2022	/O-Cl_stability Cu80O24H2Cl2-01	Ibáñez-Alé, Enric	vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex	Geometry optimization	DFT	-	-432.55152930; eV
	11-Nov-2022	/O-Cl_stability Cu80O22H1Cl1-02	Ibáñez-Alé, Enric	vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex	Geometry optimization	DFT	-	-415.41644926; eV
	11-Nov-2022	/O-Cl_stability Cu80O25Cl1-01	Ibáñez-Alé, Enric	vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex	Geometry optimization	DFT	-	-430.95963259; eV
	11-Nov-2022	/O-Cl_stability Cu80O19Cl1-04	Ibáñez-Alé, Enric	vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex	Geometry optimization	DFT	-	-390.59320373; eV
	11-Nov-2022	/O-Cl_stability Cu80O35Cl5-02	Ibáñez-Alé, Enric	vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex	Geometry optimization	DFT	-	-514.05435874; eV
	11-Nov-2022	/O-Cl_stability Cu80O20Cl3-01	Ibáñez-Alé, Enric	vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex	Geometry optimization	DFT	-	-400.90135760; eV
	16-Feb-2023	/M_S_din6_as_c4_2346/Au_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	-	-609.71934471; eV

Results 36031-36040 of 104583 (Search time: 0.023 seconds).