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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/Ni_structures Ni14-10	Strugovshchikov, Evgenii	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-46.64004962; eV
	1-Mar-2024	/Metal_structures/Ni_structures Ni19-m25	Strugovshchikov, Evgenii	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-31.53726216; eV
	1-Mar-2024	/Metal_structures/Ni_structures Ni6-20	Strugovshchikov, Evgenii	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-16.63276264; eV
	1-Mar-2024	/Metal_structures/Cu_structures Cu-bulk	Strugovshchikov, Evgenii	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-14.91582121; eV
	1-Mar-2024	/Metal_structures/Ni_structures Ni13-2	Strugovshchikov, Evgenii	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-49.20168099; eV
	1-Mar-2024	/Metal_structures/Ni_structures Ni111	Strugovshchikov, Evgenii	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-346.49189620; eV
	1-Mar-2024	/Metal_structures/Ni_structures Ni15	Strugovshchikov, Evgenii	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-58.10510174; eV
	11-Mar-2024	3	Solé-Daura, Albert	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	LANL2DZ 6-31G(D,P) GEN	-1342.86899793; Eh
	11-Mar-2024	4	Solé-Daura, Albert	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	LANL2DZ 6-31G(D,P) GEN	-1342.94248630; Eh
	11-Mar-2024	hteoa_cation	Solé-Daura, Albert	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G(D,P) GEN	-518.578893551; Eh

Results 1341-1350 of 2579 (Search time: 0.001 seconds).