Solitons and polarons in polyacetylene: Self-consistent-field calculations of the effect of neutral and charged defects on molecular geometry

Chemistry

• Polyene 100%
• Molecular Geometry 100%
• Polyacetylene Polymer 100%
• Polaron 100%
• Charge Density Wave 50%
• Bond Length 33%
• Bipolaron 33%
• Radical Ion 33%
• Cation 16%
• Dipole Moment 16%
• Radical Cation 16%
• Charge Distribution 16%
• Radical Anion 16%
• Spin Density Wave 16%

Physics

• Self Consistent Field 100%
• Solitary Wave 100%
• Polyacetylene 100%
• Polaron 100%
• Dipole Moment 11%
• Charge Distribution 11%

Keyphrases

• Neutral Defects 100%
• Radical Ions 40%
• Anion Defect 20%
• Cation Defects 20%
• Defect Solitons 20%
• Carbon Backbone 20%
• Polyene Structures 20%
• Lattice Polarisation 20%
• Equilibrium Charge 20%
• Anionic Defect 20%