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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	15-May-2020	HMo2O7	Petrus, Enric	ADF; 2019	Geometry optimization	PBE	TZP	-
	15-May-2020	Mo2O7	Petrus, Enric	ADF; 2019	Geometry optimization	PBE	TZP	-
	15-Aug-2020	/Vibrational-modes freq-CO3-2	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-only	Frequencies	DFT	-	-1865.21907001; eV
	15-Aug-2020	/Vibrational-modes freq-CO3-3	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-only	Frequencies	DFT	-	-1865.04456768; eV
	8-Jan-2020	/Energies_to_plot_Pourbaix_diagram/doped_bulk_pbe_hse/niooh pbestc	Zhou, Yecheng	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 03 2017 21:06:31) complex	Single point	DFT	-	-482.37996447; eV
	8-Jan-2020	/Energies_to_plot_Pourbaix_diagram/doped_bulk_pbe_hse/nio2 hsestc2	Zhou, Yecheng	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 03 2017 21:06:31) complex	Single point	DFT	-	-566.52920858; eV
	18-Sep-2019	screen_PtCl-oh2	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-2030.15166288; eV
	18-Sep-2019	screen_PtCl-pristine	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-2012.91158563; eV
	22-Jul-2018	/G09/G09_P1/Product Product	Petrus, Enric	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31+G; SDD*	-2959.73691550; Eh
	15-May-2020	H2Mo3O10	Petrus, Enric	ADF; 2019	Geometry optimization	PBE	TZP	-

Results 20721-20730 of 103542 (Search time: 0.012 seconds).