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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	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
	12-Nov-2024	/Pt1-C3N4 Pt1-C3N4-CH3+CH2CH3	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-535.96835972; eV
	1-Mar-2024	/RWGS_on_NiCu/Adsorption_energies/Ni3Cu-100 CO-hollow	Strugovshchikov, Evgenii	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-172.83613839; eV
	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
	12-Nov-2024	/Pt4-C3N4 Pt4-C3N4-C3H6-TS_(σ_adsorption)	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Improved Dimer Method	DFT	-	-539.46025946; eV
	1-Mar-2024	/RWGS_on_Ni/Adsorption_energies/Ni100 C-hollow-1	Strugovshchikov, Evgenii	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-178.94815167; eV

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