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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	21-Jun-2019	/wB97X-D Int3_Ni_B_OCs	Mateo, Ana	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	LanL2DZ; 6-311G**	-1446.27762638; Eh
	27-Jun-2023	SP_Z-D3	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(D,P) SDD GENECP	-1364.9305718; Eh
	30-Nov-2022	/Oxygen-vacancies/x-ZnZrOx-slab/t-ZnZrOx-1vac/Zn-surf-t-ZnZrOx-1vac m1-t-ZnZrOx-vac-ss-2	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-431.38285781; eV
	25-Jun-2024	/Intermediates/Au/100 C4H10N2_4	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-237.47002784; eV
	28-Sep-2022	/FG_dataset/aromatics/zn/0001 zn-6601-b	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-130.31113937; eV
	1-Mar-2022	Pt-4O-2Ce3-29_33	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-857.44514735; eV
	1-Sep-2023	C-1a	Xie, Jiale	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM06	DEF2TZVP	-1455.8924423; Eh
	21-Jun-2019	/wB97X-D TS3CsB-O	Mateo, Ana	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RwB97XD	LanL2DZ; 6-311G**	-1446.27348492; Eh
	28-May-2019	/M3O10_2H_1iso M3O10_2H_1iso	Petrus, Enric	ADF; 2016	Single point	DFT	TZP	-
	28-May-2019	/M3O10_2H_2iso M3O10_2H_2iso	Petrus, Enric	ADF; 2016	Single point	DFT	TZP	-

Results 25481-25490 of 93712 (Search time: 0.015 seconds).