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- W2031567259 abstract "Classical molecular simulation is used to study the polymer-chain tacticity through two approaches. The first purpose is to use it as a characterization technique: The chain tacticity of a commercial polymer is determined by comparing the experimental infrared absorption spectrum with those ensued from the simulated stereoisomers. The best agreement between the simulated and the measured spectra actually reveals the experimental polymer-chain configuration. The second is to employ molecular simulation as a probe technique. From the accurate simulation of the difference in the glass transition temperatures between the two PMMA stereoisomers, energetic and microscopic analyses are performed. Based on glass transition theories, the reasons for such a difference are then discussed." @default.
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- W2031567259 date "2000-05-16" @default.
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- W2031567259 title "MOLECULAR MODELING OF POLYMER-CHAIN TACTICITY" @default.
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- W2031567259 doi "https://doi.org/10.1081/ppt-100100040" @default.
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