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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	22-Jul-2018	/ADF/ADF_P1/HNO3 HNO3	Petrus, Enric	ADF; 2016	Geometry optimization Minimum	DFT	TZP	-
	22-Jul-2018	/ADF/ADF_P303/H2 H2	Petrus, Enric	ADF; 2016	Single point Minimum	DFT	TZP	-
	27-Jun-2023	Z-F4	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G SDD GENECP*	-1819.04468235; Eh
	30-Nov-2022	/Oxygen-vacancies/x-ZnZrOx-slab/t-ZnZrOx-1vac/Zn-subsurf-t-ZnZrOx-1vac m4-t-ZnZrOx-vac-s-9	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-431.50188321; eV
	26-Oct-2017	/THF 5-Br_T-PMe3	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-311+G**	-1797.83414397; Eh
	26-Oct-2017	/THF 9-I-PMe3	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G**	-1334.91058742; Eh
	26-Oct-2017	/THF 2-I-PMe3	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G**	-1796.11261245; Eh
	26-Oct-2017	/THF 3-I-PMe3	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G**	-1334.92584591; Eh
	31-Jul-2023	/M_P_SACs/M_tr_C4P0_C5P1/Ni_tr_C4P0_C5P1 rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-650.67184265; eV
	31-Jul-2023	/M_P_SACs/M_tr_C4P0_C5P1/Os_tr_C4P0_C5P1 rel_111	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-646.45526842; eV

Results 1981-1990 of 104079 (Search time: 0.004 seconds).