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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 tiofenohgi2_newfix2freq	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31+g; sdd*	-729.482704121; Eh
	9-Nov-2018	/vacuum/complexes xeZrCl5_newfix	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31+g; sdd*	-2364.03736071; Eh
	9-Nov-2018	/vacuum/complexes xenbnh24_newfix	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31+g; sdd*	-296.240554044; Eh
	9-Nov-2018	/vacuum/complexes oZrCl5_newfix	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31+g; sdd*	-2423.54781808; Eh
	9-Nov-2018	/noDisp/ligands sin-ch3-b3lyp	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g*	-39.8406581; Eh
	9-Nov-2018	/noDisp/ligands sin-h2b3lyp	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g*	-1.1754824; Eh
	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

Results 23751-23760 of 103928 (Search time: 0.014 seconds).