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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	18-Feb-2021	/Butanone tBuOH	Garay Ruiz, Diego	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-311G(D,P)	-233.679084923; Eh
	28-May-2022	/CuAg Cu(111)-3x3-Ag-3-CO-CO	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-158.89878938; eV
	30-Nov-2022	/Oxygen-vacancies/x-ZnZrOx-slab/m-ZnZrOx-1vac/Zn-subsurf-m-ZnZrOx-1vac m6-m-ZnZrOx-vac-s-13	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-432.11829332; eV
	27-Jun-2023	smC-Z	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D)	-959.512891922; Eh
	5-May-2020	Odes-CuₘOₙ₋₁-site-8-sol-off	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Nov 7 2017 12:03:20) complex	Geometry optimization	DFT	-	-1787.64436824; eV
	5-May-2020	Odes-CuₘOₙ₋₁-site-7-sol-off	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Nov 7 2017 12:03:20) complex	Geometry optimization	DFT	-	-1787.79908111; eV
	5-May-2020	Odes-CuₘOₙ₋₁-site-5-sol-off	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Nov 7 2017 12:03:20) complex	Geometry optimization	DFT	-	-1800.50348251; eV
	5-May-2020	Odes-CuₘOₙ₋₁-site-6-sol-off	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Nov 7 2017 12:03:20) complex	Geometry optimization	DFT	-	-1800.38034327; eV
	24-Jul-2020	Mo7O24_2H_BLYP	Petrus, Enric	ADF; 2019	Geometry optimization	BLYP	TZP	-9.44280218; Eh
	24-Jul-2020	Mo8O26_2H_BLYP	Petrus, Enric	ADF; 2019	Geometry optimization	BLYP	TZP	-10.02359307; Eh

Results 16591-16600 of 104515 (Search time: 0.012 seconds).