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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	18-Apr-2017	/B3LYP-D3 TS2_with_OPh_mono	Mateo, Anna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	LanL2DZ; 6-311G**	-1856.06191934; Eh
	18-Apr-2017	/B3LYP-D3 Fluorobenzene	Mateo, Anna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	-	-331.586125084; Eh
	18-Apr-2017	/B3LYP-D3 NaF	Mateo, Anna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	-	-262.236909795; Eh
	18-Apr-2017	/B3LYP-D3 Int1_2_mono	Mateo, Anna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	LanL2DZ; 6-311G**	-962.130822835; Eh
	18-Apr-2017	/B3LYP-D3 Int1_1mono	Mateo, Anna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	LanL2DZ; 6-311G**	-962.128944389; Eh
	18-Apr-2017	/B3LYP-D3 BnepF	Mateo, Anna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	-	-393.357427940; Eh
	18-Apr-2017	/B3LYP-D3 TS-iso1_mono	Mateo, Anna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	LanL2DZ; 6-311G**	-962.126145505; Eh
	18-Apr-2017	/B3LYP-D3 NaFBOPh	Mateo, Anna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	-	-862.720342085; Eh
	18-Apr-2017	/B3LYP 1Int-cis_bis	Mateo, Anna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	LanL2DZ; 6-311G**	-1423.29631146; Eh
	18-Apr-2017	/B3LYP B2nep2	Mateo, Anna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	-	-586.810853945; Eh

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