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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	8-Jan-2020	/Energies_to_plot_Pourbaix_diagram/doped_bulk_pbe_hse/nio2h2 hsestc2	Zhou, Yecheng	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 03 2017 21:06:31) complex	Single point	DFT	-	-847.95005976; eV
	8-Jan-2020	/Energies_to_plot_Pourbaix_diagram/doped_bulk_pbe_hse/nio2h2 pbestc	Zhou, Yecheng	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 03 2017 21:06:31) complex	Single point	DFT	-	-606.72124283; eV
	8-Jan-2020	/Energies_to_plot_Pourbaix_diagram/doped_bulk_pbe_hse/nio hsestc2	Zhou, Yecheng	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 03 2017 21:06:31) complex	Single point	DFT	-	-407.97147513; eV
	8-Jan-2020	/Energies_to_plot_Pourbaix_diagram/doped_bulk_pbe_hse/nio pbestc	Zhou, Yecheng	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 03 2017 21:06:31) complex	Single point	DFT	-	-248.11547457; eV
	22-Jul-2018	/G09/G09_P1/HNO3 HNO3	Petrus, Enric	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	-	-280.901855340; Eh
	15-May-2020	H2Mo5O16	Petrus, Enric	ADF; 2019	Geometry optimization	PBE	TZP	-
	15-May-2020	H2Mo4O13	Petrus, Enric	ADF; 2019	Geometry optimization	PBE	TZP	-
	15-May-2020	HMo5O16	Petrus, Enric	ADF; 2019	Geometry optimization	PBE	TZP	-
	15-May-2020	Mo5O16	Petrus, Enric	ADF; 2019	Geometry optimization	PBE	TZP	-
	8-Jan-2020	/OER/2up mooh	Zhou, Yecheng	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-792.92089936; eV

Results 20741-20750 of 103542 (Search time: 0.014 seconds).