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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	1-Mar-2024	/Gas_phase COOH(g)	Strugovshchikov, Evgenii	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-24.38171752; eV
	1-Mar-2024	/Gas_phase COH(g)	Strugovshchikov, Evgenii	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-15.29867866; eV
	1-Mar-2024	/RWGS_on_Ni/Adsorption_energies/Ni111 CO-hollow-5	Strugovshchikov, Evgenii	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-209.69384185; eV
	1-Mar-2024	/RWGS_on_Ni/Energy_profiles/CO2-dis CO2-6	Strugovshchikov, Evgenii	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-193.62985191; eV
	1-Mar-2024	/RWGS_on_Ni/Energy_profiles/CO2-dis CO2-2	Strugovshchikov, Evgenii	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-193.11041427; eV
	1-Mar-2024	/RWGS_on_Ni/Energy_profiles/H2-dis H2-1	Strugovshchikov, Evgenii	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-176.57792543; eV
	1-Mar-2024	/RWGS_on_Ni/Energy_profiles/CO-dis CO-6	Strugovshchikov, Evgenii	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-184.64039317; eV
	1-Mar-2024	/Gas_phase H2(g)	Strugovshchikov, Evgenii	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-6.77533039; eV
	1-Mar-2024	/Gas_phase H(g)	Strugovshchikov, Evgenii	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-1.11763250; eV
	1-Mar-2024	/RWGS_on_Ni/Adsorption_energies/Ni111 CO-hollow-2	Strugovshchikov, Evgenii	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-210.87744247; eV

Results 1111-1120 of 2579 (Search time: 0.0 seconds).