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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	21-Jul-2017	TS(4-7)c	de Orbe, M. Elena	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM06	6-31G; LANL2DZ; SDD*	-1266.02136201; Eh
	11-Feb-2022	Me2PhSiH_SP	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	DEF2TZVP GEN	-601.769459; Eh
	21-Jul-2017	TS(7-10)c	de Orbe, M. Elena	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM06	6-31G; LANL2DZ; SDD*	-1266.01016345; Eh
	21-Jul-2017	TS(2-4)c	de Orbe, M. Elena	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM06	6-31G; LANL2DZ; SDD*	-1266.01129874; Eh
	21-Jul-2017	TS(5-8)d	de Orbe, M. Elena	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM06	6-31G; LANL2DZ; SDD*	-1266.02389673; Eh
	21-Jul-2017	Int6c	de Orbe, M. Elena	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31G; LANL2DZ; SDD*	-1266.02050277; Eh
	21-Jul-2017	Int5c	de Orbe, M. Elena	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31G; LANL2DZ; SDD*	-1266.03989923; Eh
	21-Jul-2017	Int7c	de Orbe, M. Elena	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31G; LANL2DZ; SDD*	-1266.07421427; Eh
	8-Jan-2020	/Energies_to_plot_Pourbaix_diagram/Energies_of_metal_phase/Energies_of_Fe FM_HSE	Zhou, Yecheng	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 03 2017 21:06:31) complex	Single point	DFT	-	-23.17402398; eV
	14-Sep-2016	O-t_13L_105	Capdevila, Marçal	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-1287.49615937; eV

Results 4941-4950 of 104124 (Search time: 0.006 seconds).