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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/Cu_structures Cu6-m20	Strugovshchikov, Evgenii	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-8.14678823; eV
	1-Mar-2024	/Metal_structures/Cu_structures Cu13-1	Strugovshchikov, Evgenii	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-32.11151883; eV
	1-Mar-2024	/Metal_structures/Cu_structures Cu13-3	Strugovshchikov, Evgenii	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-31.90709776; eV
	1-Mar-2024	/Metal_structures/Cu_structures Cu23	Strugovshchikov, Evgenii	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-62.59796341; eV
	1-Mar-2024	/Metal_structures/Cu_structures Cu32	Strugovshchikov, Evgenii	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-90.46846603; eV
	1-Mar-2024	/Metal_structures/Cu_structures Cu38	Strugovshchikov, Evgenii	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-112.46333307; eV
	1-Mar-2024	/Metal_structures/Cu_structures Cu15	Strugovshchikov, Evgenii	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-38.57038866; eV
	1-Mar-2024	/Metal_structures/Cu_structures Cu6	Strugovshchikov, Evgenii	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-12.26311378; eV
	27-May-2024	PW9_Ti-Oallyl-OOH_HOSi	Solé-Daura, Albert	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization Minimum	RB3LYP	GENECP	-
	27-May-2024	PW9_TS-Otrans	Solé-Daura, Albert	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization TS	RB3LYP	GENECP	-

Results 1261-1270 of 2579 (Search time: 0.001 seconds).