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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-piridinaoso3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-564.2221614; Eh
	8-Nov-2018	/water/complexes aq-scnpdhph32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1305.9444103; Eh
	8-Nov-2018	/water/complexes aq-sauph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-877.3213019; Eh
	8-Nov-2018	/water/complexes aq-scnalcl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g*	-2114.4985285; Eh
	8-Nov-2018	/water/complexes aq-ph3k	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-371.4185616; Eh
	29-Jan-2018	t4_nap	Kuniyil, Rositha	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D	6-31g(d); SDD	-2889.23962433; Eh
	29-Jan-2018	t_3-4	Kuniyil, Rositha	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB97D	6-31g(d); SDD	-2924.19541375; Eh
	8-Nov-2018	/water/complexes aq-scnircoph32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1395.197998; Eh
	8-Nov-2018	/water/complexes aq-piridinawco5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-882.2492924; Eh
	8-Nov-2018	/water/complexes aq-piridinaznch3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-515.2650248; Eh

Results 2271-2280 of 12842 (Search time: 0.004 seconds).