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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	26-Oct-2017	/N_hexane Hexane	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G**	-237.171989133; Eh
	26-Oct-2017	/Other_Phosphines TS-1-2-I-PPh3	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G**	-3522.17720020; Eh
	26-Oct-2017	/Other_Phosphines 6-I-PMePh2	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-311+G(d,p)	-2715.18416817; Eh
	26-Oct-2017	/Other_Phosphines NiPMe2Ph-4	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(d,p)	-2781.32169362; Eh
	26-Oct-2017	/Other_Phosphines 6-I-PPh3	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-311+G(d,p)	-3290.56151807; Eh
	26-Oct-2017	/Other_Phosphines NiPPh3-3	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(d,p)	-3279.08460787; Eh
	26-Oct-2017	/Other_Phosphines TS-4-5-I_T-PPh3	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-311+G**	-3522.18625046; Eh
	26-Oct-2017	/Other_Phosphines NiPMePh2-3	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(d,p)	-2703.69784947; Eh
	26-Oct-2017	/Other_Phosphines 3-I-PMe2Ph	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(d,p)	-1718.51055427; Eh
	26-Oct-2017	/Other_Phosphines NiPMePh2-4	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(d,p)	-3548.50365790; Eh

Results 2461-2470 of 12842 (Search time: 0.005 seconds).