Spirooxazine-doped polymer films

It is relevant to cite here two more examples of the application of molecular calculations to spiropyran derivatives. First, in a study of the relationship between photochromism and second-order nonlinear optical (NLO) properties in spiropyran- and spirooxazine-doped polymer films, dipole moments, polarizabilities, and hyperpolarizabilities were estimated by the MNDO method.46 Second, the relative stabilities of the radical anions as well as their spin density distributions for a spiroindolinic series were calculated by an ab initio method in a combined electron paramagnetic resonance (EPR)/electrochemistry study.47... 

Y. Atassi, J. A. Delaire, and K. Nakatani, Coupling between photochromism and second-harmonic generation in spiropyran- and spirooxazine-doped polymer films, J. Phys. Chem. 99, 16320-16326... 

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