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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-nhcpdph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-697.3520443; Eh
	8-Nov-2018	/water/complexes aq-oalcl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g*	-1698.7940213; Eh
	8-Nov-2018	/water/complexes aq-nhctame4piram	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-442.7696394; Eh
	8-Nov-2018	/water/complexes aq-oconh35	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-503.8352821; Eh
	8-Nov-2018	/water/complexes aq-oauph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-554.2753092; Eh
	8-Nov-2018	/water/complexes aq-nhcticl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1665.227273; Eh
	15-Oct-2018	b_TD	Fernández, Víctor	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UCAM-B3LYP; TD-FC	6-31+g(d)	-1399.63366634; Eh
	15-Oct-2018	b_4	Fernández, Víctor	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	6-31+g(d)	-1400.47503621; Eh
	8-Nov-2018	/water/complexes aq-nhcwco5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-860.1741016; Eh
	15-Oct-2018	b_2-m06l	Fernández, Víctor	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UM06L	6-31+g(d)	-1400.24064451; Eh

Results 2691-2700 of 12842 (Search time: 0.005 seconds).