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- W2024650149 abstract "The products of thermal degradation of polystyrene and poly(4-vinylpyridine) have been rationalized using ASED-MO theory. The calculations explain the formation of styrene dimer and the absence of 4-vinylpyridine dimer during the thermal degradation, which may be due to the high reactivity of 4-vinylpyridine dimer. According to frontier molecular orbital (FMO) treatment, the reactivity of the molecule is controlled by the energy separation between HOMO and LUMO. It was found that 4-vinylpyridine dimer is more reactive than styrene dimer due to its smaller energy separation." @default.
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- W2024650149 date "1994-01-01" @default.
- W2024650149 modified "2023-09-27" @default.
- W2024650149 title "Theoretical investigations of the stability of degradation products of polystyrene and poly(4-vinylpyridine)" @default.
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- W2024650149 doi "https://doi.org/10.1016/0141-3910(94)90048-5" @default.
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