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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	9-Nov-2018	/water/ligands aq-ob3lyp	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g*	-75.3501109; Eh
	9-Nov-2018	/water/ligands aq-sb3lyp	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g*	-398.4238962; Eh
	9-Nov-2018	/noDisp/complexes sin-fenilfecl3-	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-1736.3747497; Eh
	9-Nov-2018	/noDisp/complexes sin-cofecl3-	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-1618.1224656; Eh
	9-Nov-2018	/noDisp/complexes sin-heaucl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1519.2706162; Eh
	9-Nov-2018	/noDisp/complexes sin-heincl2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-924.9647144; Eh
	9-Nov-2018	/noDisp/complexes sin-iaucl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1527.9918302; Eh
	9-Nov-2018	/noDisp/complexes sin-hehgi2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-179.3706003; Eh
	9-Nov-2018	/noDisp/complexes sin-hincl2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-922.9770654; Eh
	9-Nov-2018	/noDisp/complexes sin-hhgi2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-177.1406033; Eh

Results 4231-4240 of 12842 (Search time: 0.006 seconds).