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- W2024658840 abstract "Ab initio molecular dynamics simulations have been performed as a function of density for a disordered sample of butadiene $({mathrm{CH}}_{2}=mathrm{C}mathrm{H}ensuremath{-}mathrm{C}mathrm{H}=mathrm{C}{mathrm{H}}_{2})$ at ambient temperature. At high density the system spontaneously reacts, in the ground state, with an ionic mechanism to mainly produce trans poly-butadiene chains. The reaction mechanism has been characterized. The pressure strongly modifies the molecular dipole generating cooperative phenomena in the sample." @default.
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- W2024658840 date "2004-07-26" @default.
- W2024658840 modified "2023-09-24" @default.
- W2024658840 title "Charge separation and polymerization of hydrocarbons at an ultrahigh pressure" @default.
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- W2024658840 doi "https://doi.org/10.1103/physrevb.70.020101" @default.
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