Browsing CHEM Faculty Publications by Subject "Density functional theory"

Now showing items 1-2 of 2

The gas-phase bis-uranyl nitrate complex [(UO(2))(2)(NO(3))(5)](-): Infrared spectrum and structure

Groenewold, Gary S.; Van Stipdonk, Michael J.; Omens, Jos; De Jong, Wibe A.; McIlwain, Michael E. (Elsevier, 2011-12-01)

The infrared spectrum of the bis-uranyl nitrate complex [(UO(2))(2)(NO(3))(5)](-) was measured in the gas phase using multiple photon dissociation (IRMPD). Intense absorptions corresponding to the nitrate symmetric and ...
Photochemical and photophysical properties of ruthenium(II) bis-bipyridine bis-nitrile complexes: Photolability

Cruz, Arvin John Filoteo; Kirgan, Robert A.; Siam, Khamis; Heiland, P.; Rillema, D. Paul (Elsevier, 2010-08-10)

The electrochemical and photophysical properties of two bis-nitrilo ruthenium(II) complexes formulated as [Ru(bpy)2(L)2](PF6)2, where bpy is 2,2′-bipyridine and L is AN = CH3CN and sn = NC–CH2CH2–CN, have been investigated. ...