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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	30-Aug-2019	tetraBF2Cs	Mateo, Ana	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	LANL2DZ 6-311G* GEN*	-473.893575851; Eh
	30-Aug-2019	ArBpinCs	Mateo, Ana	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	LANL2DZ 6-311G* GEN*	-505.711135843; Eh
	30-Aug-2019	CsF-CuI	Mateo, Ana	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	LANL2DZ 6-311G* GEN*	-327.491121399; Eh
	30-Aug-2019	ArFCs	Mateo, Ana	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	LANL2DZ 6-311G* GEN*	-351.475934382; Eh
	30-Aug-2019	ArBpinRadical	Mateo, Ana	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	6-311G(D,P)	-485.836323904; Eh
	30-Aug-2019	ArFRadical	Mateo, Ana	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	6-311G(D,P)	-331.585968529; Eh
	30-Aug-2019	PrevTS2Cu	Mateo, Ana	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	LANL2DZ 6-311G* GEN*	-1905.04075903; Eh
	30-Aug-2019	TSdirecttransIrad	Mateo, Ana	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	UB3LYP	LANL2DZ 6-311G* GEN*	-813.255599961; Eh
	30-Aug-2019	LCu2BpinF	Mateo, Ana	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	LANL2DZ 6-311G* GEN*	-1011.30954874; Eh
	30-Aug-2019	TSLCuF	Mateo, Ana	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	LANL2DZ 6-311G* GEN*	-1385.32017405; Eh

Results 51-60 of 65 (Search time: 0.002 seconds).