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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 Cu1	Strugovshchikov, Evgenii	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-0.24182536; eV
	12-Nov-2024	/Pt3-Sn-C3N4 Pt3-sn-C3N4-C3H6-TS_(π_adsorption)	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Improved Dimer Method	DFT	-	-540.28404780; eV
	27-May-2024	PW9_TS-Otrans	Solé-Daura, Albert	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization TS	RB3LYP	GENECP	-
	25-Nov-2024	/Tetracene/Dimers Dimer_BF	Ionut Octavian, Stan	GronOR; 23.00; under active development	NOCI	NOCI-Fragments	-	-1377.63941583; Eh
	1-Mar-2024	/Metal_structures/Ni_structures Ni38-20	Strugovshchikov, Evgenii	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-140.66517521; eV
	1-Mar-2024	/Metal_structures/Ni_structures Ni19-15	Strugovshchikov, Evgenii	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-65.40319943; eV
	29-Oct-2025	/SF/SF_sp ts_f_1ts1n	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	GEN	-919.880074; Eh
	17-Jul-2025	/Pt4-Al2O3 Pt4-Al2O3-C3H8-C2	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-1262.59432404; eV
	1-Mar-2024	/Metal_structures/Ni_structures Ni19-25	Strugovshchikov, Evgenii	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-59.68441177; eV
	1-Mar-2024	/Metal_structures/Ni_structures Ni19-m15	Strugovshchikov, Evgenii	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-59.91405593; eV

Results 1291-1300 of 2835 (Search time: 0.001 seconds).