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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	10-Jul-2017	MoO3-x_+_H	Rellán, Marcos	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Geometry optimization	-	-	-1079.82069748; eV
	10-Jul-2017	MoO3-OtH	Rellán, Marcos	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Geometry optimization	-	-	-1087.30300814; eV
	26-Jan-2017	2c-OHadduct	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	6-31+G*	-1068.46089415; Eh
	26-Jan-2017	TS3c-d_prima	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	UB3LYP	6-31+G*	-842.443092692; Eh
	10-Jul-2017	H4SiMo12O40-ObH	Rellán, Marcos	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 15:16:02) gamma-only	Geometry optimization	-	-	-417.03451396; eV
	10-Jul-2017	Glucose_without_-O3H	Rellán, Marcos	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 15:16:02) gamma-only	Geometry optimization	-	-	-131.86342534; eV
	10-Jul-2017	MoO3-ObH	Rellán, Marcos	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Geometry optimization	-	-	-1087.59597194; eV
	10-Jul-2017	Mannose	Rellán, Marcos	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-138.42498076; eV
	8-Jan-2020	/Energies_to_plot_Pourbaix_diagram/Energies_of_metal_phase/Energies_of_Ni E_Ni_without_U-AFM_PBE	Zhou, Yecheng	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-10.83105794; eV
	8-Jan-2020	/Energies_to_plot_Pourbaix_diagram/Energies_of_metal_phase/Energies_of_Ni E_NI_FM_PBE	Zhou, Yecheng	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-4.93255384; eV

Results 6121-6130 of 106048 (Search time: 0.006 seconds).