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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 Cs	Mateo, Anna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	LanL2DZ	-19.7987647362; Eh
	21-Jun-2019	/B2O4(C2H4)2 Int2-Ni-BCs	Mateo, Anna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	LanL2DZ; 6-311G**	-1289.42221503; Eh
	21-Jun-2019	/B2O4(C2H4)2 tetraBCs	Mateo, Anna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	LanL2DZ; 6-311G**	-657.862031635; Eh
	21-Jun-2019	/B2O4(C2H4)2 CsBCO3	Mateo, Anna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	LanL2DZ; 6-311G**	-537.976513351; Eh
	21-Jun-2019	/B2O4(C2H4)2 Prev	Mateo, Anna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	LanL2DZ; 6-311G**	-1015.34203034; Eh
	21-Jun-2019	/B2O4(C2H4)2 TS1	Mateo, Anna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	LanL2DZ; 6-311G**	-1015.33408349; Eh
	21-Jun-2019	/RealCat Prev2	Mateo, Ana	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	LanL2DZ; 6-311G**	-1713.59295126; Eh
	21-Jun-2019	/RealCat TS1	Mateo, Ana	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	LanL2DZ; 6-311G**	-1713.55522412; Eh
	21-Jun-2019	/Pinacolato Int3_Ni_B_CCs	Mateo, Ana	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	LanL2DZ; 6-311G**	-1446.76349437; Eh
	21-Jun-2019	/Pinacolato Int3_Ni_B_OCs	Mateo, Ana	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	LanL2DZ; 6-311G**	-1446.74536544; Eh

Results 41-50 of 80 (Search time: 0.003 seconds).