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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	11-Feb-2022	TpBr3CuNH_Si_t_v4	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	LANL2DZ 6-31G(D,P) GEN	-2487.67186850; Eh
	26-Oct-2017	/THF TS-4-5-Br-PMe3	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-311+G**	-1797.82233890; Eh
	19-Jul-2017	/Methyl_substituent_(R=Me) 3I0ad-Me	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	LANL2DZ; 6-31G(d)	-2233.75524633; Eh
	19-Jul-2017	/Methyl_substituent_(R=Me) 3I8-Me	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	LANL2DZ; 6-31G(d)	-2233.81776636; Eh
	19-Jul-2017	/Methyl_substituent_(R=Me) TS0-Me	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	UB3LYP	LANL2DZ; 6-31G(d)	-2233.75023057; Eh
	11-Feb-2022	TpBr3CuNH_Si_t_v5	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	LANL2DZ 6-31G(D,P) GEN	-2487.67684814; Eh
	19-Jul-2017	/Methyl_substituent_(R=Me) TS1-Me	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	UB3LYP	LANL2DZ; 6-31G(d)	-2233.80215972; Eh
	19-Jul-2017	/Methyl_substituent_(R=Me)/Single_Point_Calculations 3I8-SP-Me	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	LANL2DZ; 6-311++G(d,p)	-2234.26974643; Eh
	19-Jul-2017	/Methyl_substituent_(R=Me)/Single_Point_Calculations 3I1-SP-Me	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	LANL2DZ; 6-311++G(d,p)	-2234.24800411; Eh
	19-Jul-2017	/Methyl_substituent_(R=Me)/Single_Point_Calculations TS0-SP-Me	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	LANL2DZ; 6-311++G(d,p)	-2234.20685401; Eh

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