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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	27-Aug-2021	/Model_System/Bader CO-Cu111	Vidal López, Anna	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 28 2018 16:43:27) complex	Single point	DFT	-	-44.51172125; eV
	27-Aug-2021	/RWGS TS11	Vidal López, Anna	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 28 2018 16:43:27) complex	Geometry optimization	DFT	-	-248.06288302; eV
	27-Aug-2021	/RWGS 17	Vidal López, Anna	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 28 2018 16:43:27) complex	Geometry optimization	DFT	-	-248.93699492; eV
	27-Aug-2021	/RWGS 18	Vidal López, Anna	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 28 2018 16:43:27) complex	Geometry optimization	DFT	-	-235.44832928; eV
	27-Aug-2021	/Model_System/Models Model2	Vidal López, Anna	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jul 31 2018 12:28:05) complex	Geometry optimization	DFT	-	-207.96008877; eV
	27-Aug-2021	/Model_System/Models Model4	Vidal López, Anna	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jul 31 2018 12:28:05) complex	Geometry optimization	DFT	-	-235.26635111; eV
	27-Aug-2021	/Model_System/Models Model3	Vidal López, Anna	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 28 2018 16:43:27) complex	Geometry optimization	DFT	-	-228.93777941; eV
	27-Aug-2021	/Model_System/Models Model1	Vidal López, Anna	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jul 31 2018 12:28:05) complex	Geometry optimization	DFT	-	-194.08785209; eV
	27-Aug-2021	/CO2 TS3	Vidal López, Anna	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 28 2018 16:43:27) complex	Geometry optimization	DFT	-	-267.91240280; eV
	27-Aug-2021	/CO2 TS2	Vidal López, Anna	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 28 2018 16:43:27) complex	Geometry optimization	DFT	-	-262.02110382; eV

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