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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 ofenoniph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-744.117703367; Eh
	9-Nov-2018	/vacuum/complexes xewco5_newfix	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31+g; sdd*	-649.433807722; Eh
	9-Nov-2018	/vacuum/complexes ofenoptph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-692.595273491; Eh
	9-Nov-2018	/vacuum/complexes szncl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2005.94116973; Eh
	9-Nov-2018	/noDisp/ligands sin-cnb3lyp	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g*	-92.8629081; Eh
	9-Nov-2018	/noDisp/ligands sin-hb3lyp	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g*	-0.4618167; Eh
	9-Nov-2018	/vacuum/complexes tiofenozrome3_newfix	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31+g; sdd*	-945.453201041; Eh
	9-Nov-2018	/vacuum/complexes ofenocucn	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-520.257653105; Eh
	9-Nov-2018	/vacuum/complexes sniph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-912.235551957; Eh
	9-Nov-2018	/vacuum/complexes szrome3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-790.957219353; Eh

Results 23041-23050 of 103529 (Search time: 0.013 seconds).