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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 fenilomenbnh24	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-627.104962435; Eh
	9-Nov-2018	/vacuum/complexes piridinarhh2o5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-739.990727777; Eh
	9-Nov-2018	/noDisp/complexes sin-otame4piram	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-292.0169468; Eh
	9-Nov-2018	/vacuum/complexes fenilomeptf5singlete	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-964.891609727; Eh
	9-Nov-2018	/vacuum/complexes scnptf5singlete	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1109.76932905; Eh
	9-Nov-2018	/vacuum/complexes fenilno2wco5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-1070.17684203; Eh
	9-Nov-2018	/vacuum/complexes scnalcl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g*	-2114.43209016; Eh
	9-Nov-2018	/vacuum/complexes piridinafeco4axial	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-825.630532640; Eh
	9-Nov-2018	/vacuum/complexes piridinamosh3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1512.74889739; Eh
	9-Nov-2018	/vacuum/complexes piridinafecl2sextup	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	UB3LYP	6-31+g; sdd*	-1292.47297125; Eh

Results 4761-4770 of 12842 (Search time: 0.004 seconds).