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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 TS4	Vidal López, Anna	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 28 2018 16:43:27) complex	Geometry optimization	DFT	-	-269.37614408; eV
	27-Aug-2021	/CO2 4	Vidal López, Anna	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 28 2018 16:43:27) complex	Geometry optimization	DFT	-	-269.37545501; eV
	27-Aug-2021	/CO2 3	Vidal López, Anna	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 28 2018 16:43:27) complex	Geometry optimization	DFT	-	-262.17108724; eV
	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/Adsorptions/CO CO-Model3	Vidal López, Anna	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 28 2018 16:43:27) complex	Geometry optimization	DFT	-	-241.77838830; eV
	27-Aug-2021	/Model_System/Adsorptions/CO CO-Model2	Vidal López, Anna	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jul 31 2018 12:28:05) complex	Geometry optimization	DFT	-	-220.87120817; eV
	27-Aug-2021	/Model_System/Adsorptions/CO CO-Model5	Vidal López, Anna	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jul 31 2018 12:28:05) complex	Geometry optimization	DFT	-	-255.08485274; eV
	27-Aug-2021	/Model_System/Adsorptions/CO CO-Model4	Vidal López, Anna	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 28 2018 16:43:27) complex	Geometry optimization	DFT	-	-248.30933021; 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/H Cu111	Vidal López, Anna	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 28 2018 16:43:27) complex	Geometry optimization	DFT	-	-35.52868460; eV

Results 41-50 of 75 (Search time: 0.001 seconds).