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- W2051217180 abstract "Molecular Dynamics simulations have been carried out for doped polyacetylene (CHK 0.25 ) x and (CHK 0.125 ) x , solving the classical equations for each time step. This method is able to derive vibrational structure for doped crystals of this type polymer. It is found that the out-of-plane acoustic phonons are sensitive to the adjacent dopant. As for dopant, this result has shown that potassum can move easily at room temperature for (CHK 0.125 ) x , while it does not slide past for (CHK 0.25 ) x ." @default.
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- W2051217180 date "1993-04-01" @default.
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- W2051217180 title "Molecular dynamics and vibrational modes of doped polyacetylene" @default.
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