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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	9-Nov-2018	/water//water complexes aq-fenilZrCl5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2580.3764252; Eh
	9-Nov-2018	/water//water complexes aq-fenilfecl3-	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-1736.6578315; Eh
	9-Nov-2018	/water//water complexes aq-fconh35	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-528.3934248; Eh
	9-Nov-2018	/vacuum/complexes imidazolznch3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-493.096056584; Eh
	9-Nov-2018	/water//water complexes aq-cowco5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-747.2715137; Eh
	9-Nov-2018	/vacuum/complexes imidazolwco5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-860.170519118; Eh
	9-Nov-2018	/water//water complexes aq-fenilk	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-259.986326; Eh
	9-Nov-2018	/water//water complexes aq-cooso3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-429.1230758; Eh
	9-Nov-2018	/water//water complexes aq-cocunh33	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-480.1265255; Eh
	9-Nov-2018	/water//water complexes aq-cofeco4axial	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-690.6633762; Eh

Results 21841-21850 of 103542 (Search time: 0.013 seconds).