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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	1-Mar-2024	/Metal_structures/NiCu_structures Ni36Cu19	Strugovshchikov, Evgenii	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-218.42841884; eV
	1-Mar-2024	/Metal_structures/NiCu_structures Cu1Ni31	Strugovshchikov, Evgenii	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-173.15950471; eV
	1-Mar-2024	/Metal_structures/Cu_structures Cu38-10	Strugovshchikov, Evgenii	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-109.77573637; eV
	1-Mar-2024	/Metal_structures/Cu_structures Cu19-20	Strugovshchikov, Evgenii	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-45.05672755; eV
	1-Mar-2024	/Metal_structures/Cu_structures Cu19-m20	Strugovshchikov, Evgenii	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-33.34604629; eV
	1-Mar-2024	/Gas_phase OH(g)	Strugovshchikov, Evgenii	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-7.55684642; eV
	1-Mar-2024	/Gas_phase O2(g)	Strugovshchikov, Evgenii	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-3.81428115; eV
	1-Mar-2024	/Gas_phase CO(g)	Strugovshchikov, Evgenii	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-14.80487855; eV
	26-Sep-2024	U2_in_UN@C2(13)-C84_NOSYM	Rosello, Yannick	ADF; 2019; 306	Single point	PBE0 == Not Default ==	TZP	-34.21621869; Eh
	1-Mar-2024	/Metal_structures/NiCu_structures Cu4Ni28-clustered	Strugovshchikov, Evgenii	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-167.58376694; eV

Results 1241-1250 of 2835 (Search time: 0.001 seconds).