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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	/CO2 TS5	Vidal López, Anna	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 28 2018 16:43:27) complex	Geometry optimization	DFT	-	-269.06309969; eV
	27-Aug-2021	/CO2 TS6	Vidal López, Anna	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 28 2018 16:43:27) complex	Geometry optimization	DFT	-	-270.13620324; eV
	27-Aug-2021	/CO2 7	Vidal López, Anna	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 28 2018 16:43:27) complex	Geometry optimization	DFT	-	-271.05688163; 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	/CO2 6	Vidal López, Anna	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 28 2018 16:43:27) complex	Geometry optimization	DFT	-	-269.44274924; 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-Model2	Vidal López, Anna	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jul 31 2018 12:28:05) complex	Single point	DFT	-	-220.87120021; 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

Results 1-10 of 75 (Search time: 0.001 seconds).