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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	9-Nov-2018	/vacuum/complexes fenilomeznch3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-613.245671477; Eh
	9-Nov-2018	/noDisp/complexes sin-owco5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-709.049924; Eh
	9-Nov-2018	/noDisp/complexes sin-ph3k	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-371.3064494; Eh
	9-Nov-2018	/vacuum/complexes piridinaptf5singlete	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-867.055451899; Eh
	9-Nov-2018	/vacuum/complexes piridinapdhph32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1062.97692475; Eh
	9-Nov-2018	/vacuum/complexes piridinarush4	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1938.51276222; Eh
	9-Nov-2018	/vacuum/complexes piridinanbnh24	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-529.058171939; Eh
	9-Nov-2018	/vacuum/complexes piridinaZrCl5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-2596.84169688; Eh
	9-Nov-2018	/vacuum/complexes piridinaticl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1687.21797326; Eh
	9-Nov-2018	/vacuum/complexes piridinaoso3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-563.901451737; Eh

Results 22801-22810 of 103529 (Search time: 0.013 seconds).