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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	13-Jul-2018	/M06_calculations bh_c5_O2_S	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM06	6-311++G**	-1620.81830543; Eh
	13-Jul-2018	/M06_calculations bh_c6_OAc	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM06	6-311++G**	-1849.89455481; Eh
	13-Jul-2018	/M06_calculations bh_int7	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM06	6-311++G**	-2750.38801372; Eh
	13-Jul-2018	/M06_calculations bh_c9	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM06	6-311++G**	-1778.04033049; Eh
	13-Jul-2018	/M06_calculations bh_alk	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM06	6-311++G**	-308.232675974; Eh
	8-Nov-2018	/water/complexes aq-ch3-aucl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1556.5409746; Eh
	9-Nov-2018	/vacuum/complexes nme3rhh2o5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-666.161267806; Eh
	13-Jul-2018	/M06_calculations bh_c9_OAc	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM06	6-311++G**	-2006.62463045; Eh
	13-Jul-2018	/B3LYPD3_calculations c6	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311++G**	-1622.27265526; Eh
	13-Jul-2018	/M06_calculations bh_c8	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM06	6-311++G**	-1777.98815319; Eh

Results 1981-1990 of 12842 (Search time: 0.005 seconds).