## Conjugated Conducting Polymers |

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Page 115

24 S . Suhai : A priori electronic

polymers . I . Hartree – Fock studies on cis - and trans - polyacetylene ( polyenes

) . J . Chem . Phys . 73 , 3843 ( 1980 ) M . Kertesz : Electronic

polymers .

24 S . Suhai : A priori electronic

**structure**calculations on highly conductingpolymers . I . Hartree – Fock studies on cis - and trans - polyacetylene ( polyenes

) . J . Chem . Phys . 73 , 3843 ( 1980 ) M . Kertesz : Electronic

**structure**ofpolymers .

Page 180

15 ] have used density functional theory to compute the band

density of states of trans - and cis - polyacetylene assuming a P2 , / n symmetry .

Results for trans - ( CH ) , are depicted in Fig . 4 . 3 and may be compared with

the 1D ...

15 ] have used density functional theory to compute the band

**structure**anddensity of states of trans - and cis - polyacetylene assuming a P2 , / n symmetry .

Results for trans - ( CH ) , are depicted in Fig . 4 . 3 and may be compared with

the 1D ...

Page 233

2

Conducting Phase 5 . 2 . 1 Lattice

Interactions The

the lattice ...

2

**Structure**and Lattice Dynamics of Conjugated Polymers in the Non -Conducting Phase 5 . 2 . 1 Lattice

**Structure**Determination from Dipole - DipoleInteractions The

**structural**arrangement of conjugated chains and their packing inthe lattice ...

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### Contents

Introduction | 1 |

An Overview of the Theory of rConjugated Polymers | 7 |

IndependentElectron | 17 |

Copyright | |

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### Common terms and phrases

absorption addition applied approach approximation atoms band behaviour bipolarons bond bond alternation calculations carriers chain charged chemical concentration conductivity configuration conjugated polymers correlation corresponding Coulomb Coulomb interactions coupling decreases defects density dependence described determined dimerization discussed dopant doping effects electron electron-electron electron-phonon ENDOR energy excitations expected experimental experiments field finite frequency function give ground Hamiltonian hopping Hubbard hyperfine important increase indicated interactions interpretation involving lattice leads length Lett limit magnetic materials measurements metallic methods modes motion neutral nuclear observed obtained one-dimensional optical pair parameter peak phonon Phys physical polarons polyacetylene polyenes polymers position properties range relaxation resonance respect samples Sect shift shown shows similar single Solid soliton spectra spectrum spin structure studies symmetry Synth temperature theoretical theory trans-(CH transition units valence values whereas