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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 nh2fecl3bai	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-1560.74166903; Eh
	9-Nov-2018	/vacuum/complexes nh2nipf33	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2150.01954231; Eh
	9-Nov-2018	/vacuum/complexes imidazolaucn	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-454.909088727; Eh
	9-Nov-2018	/vacuum/complexes nh2agnhc	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-429.190483884; Eh
	9-Nov-2018	/vacuum/complexes nme3aucl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-1690.93360881; Eh
	9-Nov-2018	/vacuum/complexes heptph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-465.447263985; Eh
	3-Oct-2019	water_sp2_ts_pdph3_c_trans2	Besora, Maria	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization TS	RB3LYP	6-31+G(D,P) SDD GEN	-3274.17884104; Eh
	9-Nov-2018	/vacuum/complexes piridinafecl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-1753.00566309; Eh
	9-Nov-2018	/vacuum/complexes nhctame4piram	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-442.679121118; Eh
	9-Nov-2018	/vacuum/complexes piridinazrome3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-640.781394065; Eh

Results 5001-5010 of 12842 (Search time: 0.005 seconds).