Electronic structure of highly conducting poly-(p-phenylene) chains: An ab initio Hartree-Fock study

Chemistry

• Electronic State 100%
• Band Gap 50%
• Carbon Atom 50%
• Quinonoid Zwitterion 50%
• Metal Insulator Transition 50%
• Lithium 50%
• Bipolaron 50%
• LCAO Calculation 50%
• Molecular Orbital 50%

Keyphrases

• Phenylene Chain 100%
• Quaterphenyl 66%
• Whole Class 33%
• Linear Combination of Atomic Orbitals 33%
• Model Chain 33%
• Highly Doped 33%
• Self-consistent Field 33%

Material Science

• Polyphenylene 100%
• Electronic Structure 100%
• Organic Polymer 33%
• Lithium 33%
• Transition Metal 33%