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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	21-Jul-2017	Int10d	de Orbe, M. Elena	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31G; LANL2DZ; SDD*	-1266.07515528; Eh
	21-Jul-2017	TS(4-5)i	de Orbe, M. Elena	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM06	6-31G; SDD*	-1214.19456595; Eh
	21-Jul-2017	TS(4-7)i	de Orbe, M. Elena	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM06	6-31G; SDD*	-1214.17339068; Eh
	21-Jul-2017	TS(5i-5k)	de Orbe, M. Elena	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM06	6-31G; SDD*	-1214.18744554; Eh
	21-Jul-2017	TS(4i-4ij)	de Orbe, M. Elena	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM06	6-31G; SDD*	-1214.17798461; Eh
	21-Jul-2017	TS(5j-5L)	de Orbe, M. Elena	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM06	6-31G; SDD*	-1214.18767743; Eh
	8-Jan-2020	/Energies_to_plot_Pourbaix_diagram/Energies_of_metal_phase/Energies_of_Fe AFM_HSE	Zhou, Yecheng	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 03 2017 21:06:31) complex	Single point	DFT	-	-21.99994145; eV
	31-Jul-2015	/Butylamine/Catalyzed/TBD/Int2 Int2	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D3	-	-1034.03162584; Eh
	14-Sep-2016	CeO4-t_13L	Capdevila, Marçal	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-523.79343949; eV
	21-Jul-2017	Int8f_and_Int9f	de Orbe, M. Elena	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31G; LANL2DZ; SDD*	-1266.08654272; Eh

Results 4961-4970 of 104124 (Search time: 0.006 seconds).