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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 TS7	Vidal López, Anna	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 28 2018 16:43:27) complex	Geometry optimization	DFT	-	-270.39418574; eV
	27-Aug-2021	/RWGS TS8	Vidal López, Anna	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 28 2018 16:43:27) complex	Geometry optimization	DFT	-	-254.08512893; eV
	27-Aug-2021	/CO2 9	Vidal López, Anna	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 28 2018 16:43:27) complex	Geometry optimization	DFT	-	-270.74325297; eV
	27-Aug-2021	/CO2 8	Vidal López, Anna	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 28 2018 16:43:27) complex	Geometry optimization	DFT	-	-270.98315417; eV
	27-Aug-2021	/RWGS 11	Vidal López, Anna	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 28 2018 16:43:27) complex	Geometry optimization	DFT	-	-254.07771660; eV
	27-Aug-2021	/CO2 10	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/Frequences/BEEF_vdW Cu2O111	Vidal López, Anna	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 28 2018 16:43:27) complex	Frequencies	DFT	-	-240.31266288; eV
	27-Aug-2021	/Model_System/Frequences/BEEF_vdW Cu111	Vidal López, Anna	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 28 2018 16:43:27) complex	Frequencies	DFT	-	-44.51171969; eV
	27-Aug-2021	/Model_System/Frequences/PBE0 CO_molecule	Vidal López, Anna	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 28 2018 16:43:27) complex	Frequencies	DFT	-	-19.25887560; eV
	27-Aug-2021	/Model_System/Bader CO-Cu2O	Vidal López, Anna	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 28 2018 16:43:27) complex	Single point	DFT	-	-240.31266335; eV

Results 21-30 of 75 (Search time: 0.001 seconds).