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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 CsBCO3	Mateo, Anna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	LanL2DZ; 6-311G**	-537.976513351; Eh
	21-Jun-2019	/RealCat TS2b2nep2	Mateo, Ana	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	LanL2DZ; 6-311G**	-2289.63823558; Eh
	21-Jun-2019	/RealCat cat_simple	Mateo, Ana	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	LanL2DZ; 6-311G**	-857.786295162; Eh
	21-Jun-2019	/Pirrol React	Mateo, Ana	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-311G**	-363.930274508; Eh
	21-Jun-2019	/B2O4(C2H4)2 After_TS2	Mateo, Anna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	LanL2DZ; 6-311G**	-1827.40096556; Eh
	21-Jun-2019	/B2O4(C2H4)2 Int1-Niiso2	Mateo, Anna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	LanL2DZ; 6-311G**	-1015.36798111; Eh
	21-Jun-2019	/Pinacolato Int2_Ni_B2Cs	Mateo, Ana	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	LanL2DZ; 6-311G**	-1446.76575662; Eh
	21-Jun-2019	/Pinacolato Int2_Ni_BCs	Mateo, Ana	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	LanL2DZ; 6-311G**	-1446.75627806; Eh
	21-Jun-2019	/Pinacolato Adduct	Mateo, Ana	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	LanL2DZ; 6-311G**	-1126.67156948; Eh
	21-Jun-2019	/Pirrol Int-Ni	Mateo, Ana	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	LanL2DZ; 6-311G**	-1693.72575623; Eh

Results 311-320 of 379 (Search time: 0.001 seconds).