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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-xezrome3_newfix	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-408.0499612; Eh
	9-Nov-2018	/vacuum/complexes pcl3ircoph32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2625.89914080; Eh
	8-Nov-2018	/water/complexes aq-tiofenofecl2sextup_newfix2freq	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-1597.2557704; Eh
	8-Nov-2018	/water/complexes aq-tiofenofecl3-bai_newfix3freq	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-2057.9044757; Eh
	8-Nov-2018	/water/complexes aq-smeincl2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1360.5406732; Eh
	8-Nov-2018	/water/complexes aq-sZrCl5_newfix	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2747.1006129; Eh
	8-Nov-2018	/water/complexes aq-tiofenoyh2o5_newfix2freq	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-973.25454; Eh
	8-Nov-2018	/water/complexes aq-tiofenohgi2_newfix2freq	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-729.5312144; Eh
	8-Nov-2018	/water/complexes aq-tiofenoincl2_newfix	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1475.2207059; Eh
	9-Nov-2018	/vacuum/complexes pcl3feco4axial	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2299.32600646; Eh

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