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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
30-Aug-2019	TSpost	Mateo, Ana	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	LANL2DZ 6-311G* GEN*	-1697.35422489; Eh
30-Aug-2019	BpinF	Mateo, Ana	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-311G(D,P)	-354.015494701; Eh
30-Aug-2019	B2pin2	Mateo, Ana	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-311G(D,P)	-508.161166289; Eh
30-Aug-2019	TS2Cu	Mateo, Ana	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	LANL2DZ 6-311G* GEN*	-1905.03178197; Eh
30-Aug-2019	Product_BpinBenz	Mateo, Ana	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-311G(D,P)	-485.819339884; Eh
30-Aug-2019	1Intcis	Mateo, Ana	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	LANL2DZ 6-311G* GEN*	-1423.33281938; Eh
30-Aug-2019	1Int2	Mateo, Ana	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	LANL2DZ 6-311G* GEN*	-962.123471074; Eh
30-Aug-2019	phosphine	Mateo, Ana	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-311G(D,P)	-461.171818035; Eh
30-Aug-2019	IntprevTS2Cu	Mateo, Ana	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	LANL2DZ 6-311G* GEN*	-1905.05063646; Eh
30-Aug-2019	TS_form_adduct_Cu	Mateo, Ana	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	LANL2DZ 6-311G* GEN*	-835.678513296; Eh

Results 41-50 of 96 (Search time: 0.002 seconds).