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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	8-Nov-2018	/water/complexes aq-nchalcl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g*	-1716.7133752; Eh
	9-Nov-2018	/noDisp/complexes sin-pcl3tame4piram	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1938.3712126; Eh
	9-Nov-2018	/noDisp/complexes sin-pcl3rush4	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-3412.1715166; Eh
	8-Nov-2018	/water/complexes aq-nchconh35	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-521.7761062; Eh
	15-Oct-2018	3_6	Fernández, Víctor	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	6-31+g(d)	-1362.26046517; Eh
	9-Nov-2018	/noDisp/complexes sin-pcl3ptf5singlete	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2340.7179834; Eh
	9-Nov-2018	/noDisp/complexes sin-pcl3rhh2o5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2213.601096; Eh
	9-Nov-2018	/noDisp/complexes sin-pcl3pdph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2193.1204348; Eh
	15-Oct-2018	3_2	Fernández, Víctor	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	6-31+g(d)	-1362.24805681; Eh
	9-Nov-2018	/noDisp/complexes sin-pcl3niph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2236.1039049; Eh

Results 3181-3190 of 12842 (Search time: 0.005 seconds).