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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/TSS24_S25 TSS24-S25	García, Cristina	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RwB97XD	6-31G(D,P) LANL2DZ GENECP	-1510.72717282; 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
	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
	16-Jan-2026	/FG_dataset/amidines/au/111 au-4aZ9-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-241.33131020; eV
	28-May-2019	/M2O7_2H_1iso M2O7_2H_1iso	Petrus, Enric	ADF; 2016	Geometry optimization	DFT	TZP	-
	28-May-2019	/M2O7_2H_2iso M2O7_2H_2iso	Petrus, Enric	ADF; 2016	Geometry optimization	DFT	TZP	-
	28-May-2019	/M3O10_1H_1iso M3O10_1H_1iso	Petrus, Enric	ADF; 2016	Single point	DFT	TZP	-

Results 31481-31490 of 104079 (Search time: 0.021 seconds).