ioChem-BD Browse - Institute of Chemical Research of Catalonia: Search

Search

previous
1
...
900
901
902
903
904
905
906
...
10355
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	15-Dec-2016	Mo132_CO3	Melgar, Dolores	ADF; 2012; 01	Geometry optimization	DFT	TZP	-
	19-Jul-2017	/Hydrogen_substituent_(R=H) I3-2-H	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	LANL2DZ; 6-31G(d)	-2194.48044599; Eh
	19-Jul-2017	/Hydrogen_substituent_(R=H) I12-H	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	LANL2DZ; 6-31G(d)	-2194.57526589; Eh
	19-Jul-2017	/Hydrogen_substituent_(R=H) I10-H	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	LANL2DZ; 6-31G(d)	-2194.50962439; Eh
	19-Jul-2017	/Hydrogen_substituent_(R=H) I11-H	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	LANL2DZ; 6-31G(d)	-2194.52668736; Eh
	19-Jul-2017	/Hydrogen_substituent_(R=H) I6-H	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	LANL2DZ; 6-31G(d)	-2194.52151746; Eh
	19-Jul-2017	/Hydrogen_substituent_(R=H) I9-H	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	LANL2DZ; 6-31G(d)	-2194.49814213; Eh
	19-Jul-2017	/Hydrogen_substituent_(R=H) I7-H	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	LANL2DZ; 6-31G(d)	-2194.52685376; Eh
	19-Jul-2017	/Hydrogen_substituent_(R=H) I2-H	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	LANL2DZ; 6-31G(d)	-2194.49337919; Eh
	19-Jul-2017	/Hydrogen_substituent_(R=H) I3-H	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	LANL2DZ; 6-31G(d)	-2194.48563438; Eh

Results 9021-9030 of 103542 (Search time: 0.007 seconds).