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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	8-Mar-2018	(C6H6)(bpy)Ni	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-311+G**	-896.898032728; Eh
	8-Mar-2018	LiOtBu	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	6-311+G**	-240.640717108; Eh
	8-Mar-2018	2a	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	ONIOM; wB97XD; UFF	6-311+G**	-1565.48974149; Eh
	8-Mar-2018	HOtBu	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	6-311+G**	-233.680591211; Eh
	8-Mar-2018	TS-c5-Cl	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	ONIOM; wB97XD; UFF	6-311+G**	-1928.72206679; Eh
	8-Mar-2018	TS-c6-c7	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	ONIOM; wB97XD; UFF	6-311+G**	-1468.37165481; Eh
	8-Mar-2018	Li-Indolate	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	6-311+G**	-370.749092177; Eh
	8-Mar-2018	Indol	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	6-311+G**	-363.789231467; Eh
	9-Nov-2018	/vacuum/complexes nh2tame4piram	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-272.659095677; Eh
	8-Mar-2018	_IPrNi(I)Cl(sty)_	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	ONIOM; wB97XD; UFF	6-311+G**	-1627.47520112; Eh

Results 2751-2760 of 12842 (Search time: 0.005 seconds).