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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	1-Mar-2024	/RWGS_on_Ni/Energy_profiles/OH-form OH-2	Strugovshchikov, Evgenii	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-180.49959209; eV
	1-Mar-2024	/RWGS_on_Ni/Energy_profiles/OH-form OH-3	Strugovshchikov, Evgenii	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-180.17354297; eV
	1-Mar-2024	/Gas_phase CO2(g)-C-shift-3	Strugovshchikov, Evgenii	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-22.66141095; eV
	1-Mar-2024	/Gas_phase CO2(g)-C-shift-4	Strugovshchikov, Evgenii	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-22.40354541; eV
	1-Mar-2024	/Gas_phase CO2(g)-C-shift-5	Strugovshchikov, Evgenii	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-22.06478635; eV
	26-Sep-2024	U2_in_UN@C2(13)-C84_SYM	Rosello, Yannick	ADF; 2019; 306	Single point	PBE0 == Not Default ==	TZP	-34.21343461; Eh
	1-Mar-2024	/RWGS_on_Ni/Energy_profiles/COOH-dis COOH-4	Strugovshchikov, Evgenii	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-197.33563853; eV
	1-Mar-2024	/RWGS_on_Ni/Energy_profiles/H2-dis H2-7	Strugovshchikov, Evgenii	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-177.20134843; eV
	1-Mar-2024	/RWGS_on_Ni/Energy_profiles/H2-dis H2-2	Strugovshchikov, Evgenii	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-176.51086301; eV
	1-Mar-2024	/RWGS_on_Ni/Energy_profiles/OH-form OH-1	Strugovshchikov, Evgenii	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-180.75401113; eV

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