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Title: Density functional theory prediction of enhanced photomagnetic properties of nitronyl nitroxide and imino nitroxide diradicals with substituded dihydropyrene couplers
Authors: ALI, ME
Keywords: Orla
In The First Author I Am Unsure If Md Is A Title For The Man Or If Its Part Of His Name
Issue Date: 2006
Citation: JOURNAL OF PHYSICAL CHEMISTRY A,110(36)10525-10527
Abstract: We predict the photoswitching magnetic properties of four substituted dihydropyrenes from density functional broken-symmetry calculations. The magnetic exchange coupling constants differ up to 9.44 cm(-1). The intramolecular exchange interactions are ferromagnetic in nature. The calculated coupling constants are much larger than those reported earlier for photomagnetic organic molecules.
ISSN: 1089-5639
Appears in Collections:Letter

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