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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	27-Aug-2021	/CO2 1	Vidal López, Anna	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 28 2018 16:43:27) complex	Geometry optimization	DFT	-	-261.20756977; eV
	27-Aug-2021	/Model_System/Bader CO-Model5	Vidal López, Anna	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jul 31 2018 12:28:05) complex	Single point	DFT	-	-255.08484320; eV
	27-Aug-2021	/Model_System/Bader CO-Model3	Vidal López, Anna	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 28 2018 16:43:27) complex	Single point	DFT	-	-241.77839176; eV
	27-Aug-2021	/Model_System/Bader CO-Model4	Vidal López, Anna	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 28 2018 16:43:27) complex	Single point	DFT	-	-248.30932129; 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
	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-Model1	Vidal López, Anna	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 28 2018 16:43:27) complex	Geometry optimization	DFT	-	-206.83917673; 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

Results 31-40 of 75 (Search time: 0.001 seconds).