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For five ab initio potentials applied in simulations it was observed that the pressure vs. temperature curves at constant density are shifted parallel to the experimental curves. This allows extrapolation of the simulation results to the values that would have been obtained with exact potentials. An explanation based on model calculations is given, showing that this effect results from a systematic...
Copolymers of methyl methacrylate and chromophores with methacrylate end groups were obtained by radical polymerization. Their nonlinear optical properties ware examined by electric field induced second-harmonic generation (EFISH) measurements and compared with corresponding monomeric dyes. All of them had maximum absorption wavelengths between 480 and 510 nm. Values for μβ (dipole moment μ, molecular...
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