Vibrational spectroscopic characterization of rigid rod polymers: IV. Crystalline modifications of poly(p-phenylene terephthalamide)

A theoretical investigation of chain pac

A theoretical investigation of chain packing and electronic band structure of the rigid-rod polymer trans-poly(p-phenylene benzobisthiazole) in the crystalline state

✍ Bhaumik, D. ;Mark, J. E. 📂 Article 📅 1983 🏛 Wiley (John Wiley & Sons) 🌐 English ⚖ 336 KB

## Abstract The extended Hückel method was employed to calculate electronic band structures in __trans__‐poly(__p__‐phenylene benzobisthiazole) (__trans__‐PBT) in an attempt to elucidate the packing and electronic properties of these chains in the crystalline state. The unit‐cell energies thus calc