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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 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 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
	21-Oct-2021	21r	Mates Torres, Eric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 18 2020 15:29:06) complex	Geometry optimization	DFT	-	-159.14836754; eV
	21-Oct-2021	12r	Mates Torres, Eric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 18 2020 15:29:06) complex	Geometry optimization	DFT	-	-159.20486145; eV
	21-Oct-2021	Glu_tridentate	Mates Torres, Eric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 18 2020 15:29:06) complex	Geometry optimization	DFT	-	-384.85621940; eV

Results 381-390 of 2587 (Search time: 0.002 seconds).