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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	26-Oct-2017	/Other_Phosphines NiPMePh2	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(d,p)	-1014.05728011; Eh
	26-Oct-2017	/Other_Phosphines 4-I-PPh3	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G**	-3522.21388166; Eh
	26-Oct-2017	/N_hexane PhH	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G**	-232.323983605; Eh
	26-Oct-2017	/N_hexane TS_H_abstraction_Hexane	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-311+G**	-468.799635792; Eh
	26-Oct-2017	/N_hexane NiPMe3-2	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G**	-1091.70848529; Eh
	26-Oct-2017	/N_hexane NiPMe3-4	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G**	-2014.13698014; Eh
	26-Oct-2017	/N_hexane NiPMe3-3	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G**	-1552.92427921; Eh
	26-Oct-2017	/N_hexane Hexanerad	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-311+G**	-236.505625587; Eh
	26-Oct-2017	/N_hexane PMe3	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G**	-461.172352031; Eh
	26-Oct-2017	/N_hexane Phrad	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-311+G**	-231.634151943; Eh

Results 2451-2460 of 12842 (Search time: 0.005 seconds).