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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	24-Jan-2019	/Oxidative_addition-Halide_abstraction 1xx(prima)	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311++G**	-1959.0444102; Eh
	24-Jan-2019	/Oxidative_addition-Halide_abstraction TS1-2	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-311++G**	-2095.6499501; Eh
	15-Oct-2018	4_2-OPBE	Fernández, Víctor	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UOPBE	6-31+g(d)	-1361.82370357; Eh
	24-Jan-2019	/Oxidative_addition-Halide_abstraction 2	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-311++G**	-1655.9144966; Eh
	15-Oct-2018	O2-t-OPBE	Fernández, Víctor	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UOPBE	6-31+g(d)	-150.268525957; Eh
	24-Jan-2019	/Oxidative_addition-Halide_abstraction TS1-3Ox_Add_	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311++G**	-2095.6331232; Eh
	24-Jan-2019	/Oxidative_addition-Halide_abstraction 11	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311++G**	-1781.1100789; Eh
	24-Jan-2019	/Oxidative_addition-Halide_abstraction 3	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311++G**	-1781.1179749; Eh
	24-Jan-2019	/Migratory_Insertion TS-3-4x(endo)	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311++G**	-2095.6935927; Eh
	24-Jan-2019	/Oxidative_addition-Halide_abstraction 10	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-311++G**	-1341.3020064; Eh

Results 91-100 of 12842 (Search time: 0.004 seconds).