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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	9-Nov-2018	/vacuum/complexes nme3ZrCl5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-2523.03164390; Eh
	9-Nov-2018	/vacuum/complexes nme3wco5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-808.425910936; Eh
	9-Nov-2018	/vacuum/complexes nme3znch3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-441.345552639; Eh
	9-Nov-2018	/vacuum/complexes nme3ticl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1613.40999844; Eh
	8-Nov-2018	/water/complexes aq-fenilomehgi2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-522.8336316; Eh
	8-Nov-2018	/water/complexes aq-ch3-incl2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-962.324867; Eh
	8-Nov-2018	/water/complexes aq-chch2aucl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1594.6157197; Eh
	9-Nov-2018	/vacuum/complexes nme3tame4piram	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-390.952830512; Eh
	8-Nov-2018	/water/complexes aq-fenilomefecl2sextup	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-1390.6152316; Eh
	8-Nov-2018	/water/complexes aq-chch2hgi2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-254.6340828; Eh

Results 1921-1930 of 12842 (Search time: 0.004 seconds).