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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|
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|
|Publisher: ||AMER CHEMICAL SOC|
|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.|
|Appears in Collections:||Letter|
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