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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	15-May-2020	HMo3O10	Petrus, Enric	ADF; 2019	Geometry optimization	PBE	TZP	-
	15-Aug-2020	/AIMD 4R-red-500-final	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-only	Ab-Initio Molecular Dynamics	DFT	-	-
	8-Jan-2020	/Energies_to_plot_Pourbaix_diagram/doped_bulk_pbe_hse/niooh hsestc2	Zhou, Yecheng	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 03 2017 21:06:31) complex	Single point	DFT	-	-713.21319358; eV
	8-Jan-2020	/Energies_to_plot_Pourbaix_diagram/doped_bulk_pbe_hse/ni2o3 pbestc	Zhou, Yecheng	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 03 2017 21:06:31) complex	Single point	DFT	-	-296.22381181; eV
	8-Jan-2020	/Energies_to_plot_Pourbaix_diagram/doped_bulk_pbe_hse/ni2o3 hsestc2	Zhou, Yecheng	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 03 2017 21:06:31) complex	Single point	DFT	-	-480.83619738; eV
	22-Jul-2018	/G09/G09_P1/UO2_OH_NO3_H2O UO2_OH_NO3_H2O	Petrus, Enric	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31+G; SDD*	-1060.29703069; Eh
	18-Sep-2019	screen_PtCl-rol1_din2	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-1996.82217311; eV
	18-Sep-2019	screen_PtCl-rol2_din2	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-1969.11058578; eV
	15-May-2020	HMo4O13	Petrus, Enric	ADF; 2019	Geometry optimization	PBE	TZP	-
	15-May-2020	Mo4O13	Petrus, Enric	ADF; 2019	Geometry optimization	PBE	TZP	-

Results 20731-20740 of 103542 (Search time: 0.013 seconds).