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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	9-Nov-2018	/noDisp/complexes sin-pcl3nbnh24	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2002.6982177; Eh
	9-Nov-2018	/noDisp/complexes sin-pcl3pdhph32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2536.6301005; Eh
	9-Nov-2018	/noDisp/complexes sin-pcl3oso3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2037.5131099; Eh
	15-Oct-2018	TS1_6	Fernández, Víctor	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	UB3LYP	6-31+g(d)	-1362.21326371; Eh
	9-Nov-2018	/noDisp/complexes sin-pcl3mosh3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2986.3804203; Eh
	9-Nov-2018	/noDisp/complexes sin-pcl3mno3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2051.6217105; Eh
	9-Nov-2018	/noDisp/complexes sin-pcl3knou2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1750.1411151; Eh
	9-Nov-2018	/noDisp/complexes sin-pcl3ircoph32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2625.8731557; Eh
	15-Oct-2018	TS1_4	Fernández, Víctor	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g(d)	-1362.21949570; Eh
	9-Nov-2018	/noDisp/complexes sin-pcl3fecl3-bai	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-3226.8066377; Eh

Results 3191-3200 of 12842 (Search time: 0.006 seconds).