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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 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/Ni100 CO2-top-5	Strugovshchikov, Evgenii	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-192.50277743; 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/H2-dis H2-6	Strugovshchikov, Evgenii	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-177.05568095; eV
	1-Mar-2024	/RWGS_on_Ni/Energy_profiles/COH-form COH-4	Strugovshchikov, Evgenii	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-189.42106374; eV
	1-Mar-2024	/RWGS_on_Ni/Adsorption_energies/Ni111 H2-top	Strugovshchikov, Evgenii	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-201.95606081; eV
	1-Mar-2024	/RWGS_on_Ni/Energy_profiles/CO-dis C-O	Strugovshchikov, Evgenii	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-186.69221188; eV
	1-Mar-2024	/Gas_phase H2O(g)	Strugovshchikov, Evgenii	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-14.25038397; eV
	1-Mar-2024	/Gas_phase HCO(g)	Strugovshchikov, Evgenii	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-17.09030155; 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

Results 1131-1140 of 2835 (Search time: 0.0 seconds).