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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 ph3ircoph32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1247.05405263; Eh
	9-Nov-2018	/vacuum/complexes ph3cunh33	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-709.672930111; Eh
	9-Nov-2018	/vacuum/complexes orush4	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1765.38393711; Eh
	9-Nov-2018	/vacuum/complexes omosh3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-1340.03248573; Eh
	9-Nov-2018	/vacuum/complexes ohznch3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-342.906725648; Eh
	9-Nov-2018	/vacuum/complexes oznch3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-342.295305117; Eh
	9-Nov-2018	/vacuum/complexes oticl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-1514.53647997; Eh
	9-Nov-2018	/vacuum/complexes ooso3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-391.596878757; Eh
	9-Nov-2018	/vacuum/complexes ok	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-103.465005591; Eh
	9-Nov-2018	/noDisp/complexes sin-ch3-ZrCl5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2388.3531314; Eh

Results 21551-21560 of 103542 (Search time: 0.014 seconds).