Search results for: Petr Toman
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Conformational properties of poly(p-phenylene vinylene)
Czechoslovak Journal of Physics > 1998 > 48 > 4 > 507-511
We investigate the quasiparticle conformational defects (excitons, polarons and bipolarons) in the phenylene vinylene oligomers. The conformations are determined by means of the minimization of the total Hartree-Fock energy calculated at 3–21G level. The infrared vibrational transitions are calculated and the types of vibrations are assigned. The theoretical spectra are in good agreement with the...
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