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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	26-Oct-2017	/Toluene NiPMe3-4	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G**	-2014.13708291; Eh
	26-Oct-2017	/Toluene 4-I-PMe3	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G**	-1796.05331975; Eh
	26-Oct-2017	/Toluene PhI	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G**	-243.107411301; Eh
	26-Oct-2017	/Toluene Toluene	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G**	-271.655265649; Eh
	26-Oct-2017	/Other_Phosphines PMePh2	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	-	-844.755968904; Eh
	26-Oct-2017	/Other_Phosphines 2-I-PMePh2	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(d,p)	-2946.88279278; Eh
	26-Oct-2017	/Other_Phosphines NiPPh3-4	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(d,p)	-4315.67341777; Eh
	9-Nov-2018	/vacuum/complexes nh2ZrCl5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2404.44318005; Eh
	8-Nov-2018	/water/complexes aq-pcl3auph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2200.8177158; Eh
	8-Nov-2018	/water/complexes aq-pcl3mosh3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2986.4965262; Eh

Results 2491-2500 of 12842 (Search time: 0.005 seconds).