Conjugated Conducting Polymers |
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Page 115
15 S . Suhai : A priori electronic structure calculations on highly conducting
polymers . I . Hartree – Fock studies on cis - and trans - polyacetylene ( polyenes
) . J . Chem . Phys . 73 , 3843 ( 1980 ) 2 . 16 M . Kertesz : Electronic structure of ...
15 S . Suhai : A priori electronic structure calculations on highly conducting
polymers . I . Hartree – Fock studies on cis - and trans - polyacetylene ( polyenes
) . J . Chem . Phys . 73 , 3843 ( 1980 ) 2 . 16 M . Kertesz : Electronic structure of ...
Page 180
15 ) have used density functional theory to compute the band structure and
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 and
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 ...
Page 233
2 Structure and Lattice Dynamics of Conjugated Polymers in the Non -
Conducting Phase 5 . 2 . 1 Lattice Structure Determination from Dipole - Dipole
Interactions The structural arrangement of conjugated chains and their packing in
the lattice ...
2 Structure and Lattice Dynamics of Conjugated Polymers in the Non -
Conducting Phase 5 . 2 . 1 Lattice Structure Determination from Dipole - Dipole
Interactions The structural arrangement of conjugated chains and their packing in
the lattice ...
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Contents
Introduction | 1 |
An Overview of the Theory of rConjugated Polymers | 7 |
References | 114 |
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 contribution correlation corresponding Coulomb Coulomb interactions coupling decreases defects density dependence described determined dimerization discussed dopant doping effects electron electron-electron energy excitations expected experimental experiments field finite frequency function give ground Hamiltonian hopping Hubbard important increase indicated interactions interpretation involving lattice leads length Lett limit localized magnetic materials measurements metallic methods modes molecules motion neutral nuclear observed obtained optical pair parameter peak phonon Phys Physics polarons polyacetylene polyenes polymers position properties range relaxation resonance respect samples Sect separation shift shown shows similar single soliton spectra spectrum spin structure studies symmetry Synth temperature theoretical theory trans-(CH transition units valence values whereas