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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	30-Apr-2019	c8	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G**	-2498.2573648; Eh
	30-Apr-2019	Int-F	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G**	-1363.390141; Eh
	30-Apr-2019	2k	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G**	-1262.9033068; Eh
	30-Apr-2019	1k	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G**	-1363.3129165; Eh
	30-Jan-2019	/Solv_Opt/B97D3/Int2_l Int2_l	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D3	6-311G**	-1690.67499021; Eh
	30-Jan-2019	/Solv_Opt/B97D3/TS_isom TS_isom	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB97D3	6-311G**	-1690.66029422; Eh
	30-Jan-2019	/Solv_Opt/B97D3/TS3 TS3	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB97D3	6-311G**	-1690.66264055; Eh
	9-Nov-2018	/vacuum/metal_frag fecl2b3lyp_sextet	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	6-31+g; sdd*	-1044.05161837; Eh
	9-Nov-2018	/vacuum/metal_frag fecl3-b3lyp_high	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	6-31+g; sdd*	-1504.80679376; Eh
	9-Nov-2018	/vacuum/metal_frag incl2b3lyp	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-922.057051273; Eh

Results 25621-25630 of 104445 (Search time: 0.016 seconds).