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- W2026779938 abstract "The C – H bond dissociation energies (BDEs) of hydroxyl-terminated polybutadiene (HTPB) binder have been computed using ab initio and density functional theory methods. Five different HTPB carbon radicals were produced by the ruptures of different C – H bonds. The structural analysis of radicals and the calculated BDEs showed that the studied C – H bonds could be divided into three groups. It was found that the weakest C – H bonds were those on the tertiary carbon atom linked to a vinyl function. The next were those on the secondary carbon attached to a vinyl function. The dissociation of these two kinds of C – H bonds determines the structure of the ultimate products during the aging of HTPB binder. The most stable C – H bonds were those in the methylene that were attached to the saturated carbon atoms." @default.
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- W2026779938 date "2009-06-01" @default.
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- W2026779938 title "HOMOLYTIC C–H BOND DISSOCIATION ENERGIES OF HTPB BINDER NETWORK" @default.
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- W2026779938 doi "https://doi.org/10.1142/s0219633609004848" @default.
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