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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	27-Aug-2021	/RWGS 16	Vidal López, Anna	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 28 2018 16:43:27) complex	Geometry optimization	DFT	-	-249.10650938; eV
	27-Aug-2021	/RWGS 15	Vidal López, Anna	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 28 2018 16:43:27) complex	Geometry optimization	DFT	-	-249.40412067; eV
	27-Aug-2021	/RWGS 13	Vidal López, Anna	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 28 2018 16:43:27) complex	Geometry optimization	DFT	-	-255.02078514; eV
	27-Aug-2021	/RWGS 12	Vidal López, Anna	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 28 2018 16:43:27) complex	Geometry optimization	DFT	-	-253.84004894; eV
	27-Aug-2021	/RWGS 14	Vidal López, Anna	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 28 2018 16:43:27) complex	Geometry optimization	DFT	-	-242.09870640; eV
	27-Aug-2021	/Model_System/Adsorptions/CO CO-Cu2O111	Vidal López, Anna	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 28 2018 16:43:27) complex	Geometry optimization	DFT	-	-240.31266293; eV
	27-Aug-2021	/Model_System/Adsorptions/CO CO-Cu111	Vidal López, Anna	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 28 2018 16:43:27) complex	Geometry optimization	DFT	-	-44.51172770; eV
	27-Aug-2021	/Model_System/Bader CuObulk	Vidal López, Anna	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jul 31 2018 12:28:05) complex	Single point	DFT	-	-10.38139122; eV
	27-Aug-2021	/Model_System/Bader Cu2Obulk	Vidal López, Anna	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jul 31 2018 12:28:05) complex	Single point	DFT	-	-11.98281388; eV
	27-Aug-2021	/Model_System/Bader Cubulk	Vidal López, Anna	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 28 2018 16:43:27) complex	Single point	DFT	-	-2.54956148; eV

Results 61-70 of 75 (Search time: 0.001 seconds).