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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 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
	14-Nov-2022	/Reaction_pathways Cu110_Cl-COCO	Ibáñez-Alé, Enric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-135.56384556; eV
	11-Nov-2022	/O-Cl_stability Cu80O18Cl2-03	Ibáñez-Alé, Enric	vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex	Geometry optimization	DFT	-	-388.17265810; 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
	11-Nov-2022	/O-Cl_stability Cu80O24Cl2-02	Ibáñez-Alé, Enric	vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex	Geometry optimization	DFT	-	-426.82904054; eV
	11-Nov-2022	/O-Cl_stability Cu80O20Cl2-03	Ibáñez-Alé, Enric	vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex	Geometry optimization	DFT	-	-399.78477694; eV
	11-Nov-2022	/O-Cl_stability Cu80O37Cl3-01	Ibáñez-Alé, Enric	vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex	Geometry optimization	DFT	-	-516.72511466; eV
	11-Nov-2022	/O-Cl_stability Cu80O22	Ibáñez-Alé, Enric	vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex	Geometry optimization	DFT	-	-408.99490229; 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
	25-Jun-2024	/Intermediates/Pt/110 CH4S	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-442.72503562; eV

Results 36691-36700 of 104583 (Search time: 0.023 seconds).