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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	21-Jun-2019	/B2O4(C2H4)2 TSiso	Mateo, Anna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	LanL2DZ; 6-311G**	-1269.50469352; Eh
	21-Jun-2019	/B2O4(C2H4)2 TS41	Mateo, Anna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	LanL2DZ; 6-311G**	-1269.54048309; Eh
	21-Jun-2019	/B2O4(C2H4)2 Int3_Ni_B_CCs	Mateo, Anna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	LanL2DZ; 6-311G**	-1289.43315243; Eh
	21-Jun-2019	/B2O4(C2H4)2 Int2-Ni-B2Cs	Mateo, Anna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	LanL2DZ; 6-311G**	-1289.43109443; Eh
	21-Jun-2019	/B2O4(C2H4)2 TS42	Mateo, Anna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	LanL2DZ; 6-311G**	-1269.52584924; Eh
	21-Jun-2019	/B2O4(C2H4)2 TS3C-OCs	Mateo, Anna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	LanL2DZ; 6-311G**	-1289.40171757; Eh
	21-Jun-2019	/B2O4(C2H4)2 Int3_Ni_B_OCs	Mateo, Anna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	LanL2DZ; 6-311G**	-1289.41307918; Eh
	21-Jun-2019	/B2O4(C2H4)2 TS4CsC-B	Mateo, Anna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	LanL2DZ; 6-311G**	-1289.40034268; Eh
	21-Jun-2019	/B2O4(C2H4)2 TS2	Mateo, Anna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	LanL2DZ; 6-311G**	-1827.39268439; Eh
	21-Jun-2019	/B2O4(C2H4)2 TS4CsO_Bafter	Mateo, Anna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	LanL2DZ; 6-311G**	-1289.45827704; Eh

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