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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_NiCu/Adsorption_energies/Ni3Cu-100 H-hollow	Strugovshchikov, Evgenii	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-160.06856296; eV
	6-Feb-2024	Th@C2(14)	Rosello, Yannick	ADF; 2019; 306	Geometry optimization	PBE0 == Not Default ==	TZP	-34.38952502; Eh
	6-Feb-2024	Th@C3(18)	Rosello, Yannick	ADF; 2019; 306	Geometry optimization	PBE0 == Not Default ==	TZP	-34.38307332; Eh
	1-Mar-2024	/RWGS_on_NiCu/Adsorption_energies/Ni3Cu-100 CH-hollow	Strugovshchikov, Evgenii	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-169.08427634; eV
	1-Mar-2024	/RWGS_on_NiCu/Adsorption_energies/Ni3Cu-100 C-hollow	Strugovshchikov, Evgenii	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-165.28126947; eV
	1-Mar-2024	/RWGS_on_Ni/Energy_profiles/H2O-form H2O-ts	Strugovshchikov, Evgenii	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Improved Dimer Method	DFT	-	-183.20789036; eV
	1-Mar-2024	/RWGS_on_Ni/Energy_profiles/HCOO-form HCOO-ts	Strugovshchikov, Evgenii	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Improved Dimer Method	DFT	-	-196.30279223; eV
	1-Mar-2024	/RWGS_on_Ni/Energy_profiles/COH-form COH-8	Strugovshchikov, Evgenii	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-189.55763793; eV
	1-Mar-2024	/RWGS_on_Ni/Energy_profiles/COH-form COH-2	Strugovshchikov, Evgenii	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-190.01287371; eV
	1-Mar-2024	/RWGS_on_Ni/Energy_profiles/OH-form OH-8	Strugovshchikov, Evgenii	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-180.65709746; eV

Results 1051-1060 of 2579 (Search time: 0.001 seconds).