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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 piridinamosh3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1512.74889739; Eh
	9-Nov-2018	/vacuum/complexes piridinaircoph32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-1152.22905058; 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 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 piridinawco5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-882.237503330; Eh
	9-Nov-2018	/vacuum/complexes piridinamno3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-577.992593158; Eh
	9-Nov-2018	/vacuum/complexes piridinak	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-276.482122929; 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 piridinafecl2sextup	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	UB3LYP	6-31+g; sdd*	-1292.47297125; Eh

Results 15351-15360 of 104583 (Search time: 0.012 seconds).