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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 shptph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-861.450048142; Eh
	9-Nov-2018	/noDisp/ligands sin-ohb3lyp	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g*	-75.7953697; Eh
	9-Nov-2018	/vacuum/complexes xezrome3_newfix	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31+g; sdd*	-407.950270626; Eh
	9-Nov-2018	/vacuum/complexes ofenonipf33	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2324.03062221; Eh
	9-Nov-2018	/vacuum/complexes sZrCl5_newfix	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31+g; sdd*	-2746.52717684; Eh
	9-Nov-2018	/vacuum/complexes xesnme3_newfix	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31+g; sdd*	-138.407977504; Eh
	9-Nov-2018	/vacuum/complexes xegacl3_newfix	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31+g; sdd*	-1398.34943079; Eh
	9-Nov-2018	/vacuum/complexes xealcl3_newfix	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31+g; sdd*	-1638.77117628; Eh
	9-Nov-2018	/vacuum/complexes ofenoincl2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1152.15548788; Eh
	9-Nov-2018	/vacuum/complexes shznnh3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-682.298258729; Eh

Results 5981-5990 of 12842 (Search time: 0.005 seconds).