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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	9-Nov-2018	/vacuum/complexes omeaucl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1631.65556941; Eh
	9-Nov-2018	/vacuum/complexes omeaucn	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-343.869603903; Eh
	9-Nov-2018	/vacuum/complexes ssnme3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-521.400027162; Eh
	9-Nov-2018	/noDisp/ligands sin-fenilb3lyp	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g*	-231.604054; Eh
	9-Nov-2018	/noDisp/ligands sin-ob3lyp	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g*	-74.8599698; Eh
	9-Nov-2018	/vacuum/complexes sime3rhh2o5_newfix	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31+g; sdd*	-901.485965482; Eh
	9-Nov-2018	/vacuum/complexes ofenofecl2sextup_new	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	6-31+g; sdd*	-1274.15900549; Eh
	9-Nov-2018	/vacuum/complexes pcl3fecl3-bai_new2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	UB3LYP	6-31+g; sdd*	-3226.81289534; Eh
	9-Nov-2018	/vacuum/complexes tiofenoincl2_newfix	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31+g; sdd*	-1475.13126971; Eh
	9-Nov-2018	/vacuum/complexes ofenogacl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1612.86775796; Eh

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