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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	9-Nov-2018	/vacuum/complexes omefecl2sextup	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-1159.56288030; Eh
	9-Nov-2018	/vacuum/complexes omecunh33	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-482.021621796; Eh
	8-Nov-2018	/water/complexes aq-pcl3fecl3-bai_new2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-3226.8904387; Eh
	8-Nov-2018	/water/complexes aq-ofenofecl2sextup_new	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-1274.2784834; Eh
	9-Nov-2018	/vacuum/complexes ofenofecl2sextup	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	UB3LYP	6-31+g; sdd*	-1274.17400025; Eh
	9-Nov-2018	/vacuum/complexes ofenocunh33	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-596.562174414; Eh
	8-Nov-2018	/water/complexes aq-fenilomefecl2sextup	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-1390.6152316; Eh
	8-Nov-2018	/water/complexes aq-fenilomecunh33	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-713.1474306; Eh
	9-Nov-2018	/noDisp/complexes sin-ph3fecl3-	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-1847.9441304; Eh
	8-Nov-2018	/water/complexes aq-scunh33	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-765.3143205; Eh

Results 11-20 of 529 (Search time: 0.001 seconds).