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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	12-Dec-2016	/La2 La2	González Fabra, Joan	ADF; 2013; 01	Geometry optimization	DFT	TZP; DZP	-27.64655737; Eh
	17-Oct-2016	/Dimer/Al_H_I/Reactants/Dimer/SOLV SOLV	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB97D3	6-311G**	-2186.59011526; Eh
	12-Dec-2016	/PrYb PrYb	González Fabra, Joan	ADF; 2013; 01	Geometry optimization	DFT	TZP; DZP	-27.48443718; Eh
	19-Jul-2017	/Methyl_substituent_(R=Me) 3I0ad-Me	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	LANL2DZ; 6-31G(d)	-2233.75524633; Eh
	19-Jul-2017	/Methyl_substituent_(R=Me) I10-2-Me	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	LANL2DZ; 6-31G(d)	-2233.80814227; Eh
	19-Jul-2017	/Methyl_substituent_(R=Me) 3I8-Me	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	LANL2DZ; 6-31G(d)	-2233.81776636; Eh
	19-Jul-2017	/Methyl_substituent_(R=Me) I10-Me	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	LANL2DZ; 6-31G(d)	-2233.83840575; Eh
	19-Jul-2017	/Methyl_substituent_(R=Me) I11-Me	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	LANL2DZ; 6-31G(d)	-2233.85204465; Eh
	15-Dec-2016	Mo132_CH3COO	Melgar, Dolores	ADF; 2012; 01	Geometry optimization	DFT	TZP	-
	13-Dec-2016	fullcapsule_CH2CHCOO	Melgar, Dolores	ADF; 2012; 01	Single point	DFT	-	-

Results 8931-8940 of 103542 (Search time: 0.007 seconds).