Quantum Chemistry of Polymers — Solid State Aspects

1. Front Matter

   Pages i-xvii

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2. Towards Specific AB Initio Programs for Polymer Calculations

   • J.-M. André, V. P. Bodart, J. L. Brédas, J. Delhalle, J. G. Fripiat

   Pages 1-21

3. Theoretical Interpretation of Valence XPS Spectra of Stereo-Regular Organic Polymers

   • J. Delhalle, J.-M. André

   Pages 23-31

4. AB Initio Studies on the Structure and Phonon Spectra of Simple Polymers

   • Alfred Karpfen

   Pages 33-55

5. Theory of Excitons in Organic Solids

   • T. C. Collins

   Pages 57-82

6. Theory of the Electronic Structure and Optical Properties of Organic Solids: Collective Effects

   • A. Barry Kunz

   Pages 83-99

7. Calculation of the Mechanical and Optical Properties of Polyethylene Including Electron Correlation Effects

   • Sándor Suhai

   Pages 101-110

8. Synthesis and Properties of Conducting Bridged Macrocyclic Metal Complexes

   • Michael Hanack

   Pages 111-136

9. Carrier Generation, Recombination, and Transport in Organic Crystals

   • Martin Pope, Charles E. Swenberg

   Pages 137-164

10. Electrical Transport Properties of Polyacetylene and Related Compounds

    • S. Roth, K. Ehinger, K. Menke

    Pages 165-190

11. The Preparation and Properties of Ordered and Disordered Diacetylene Polymers

    • D. Bloor

    Pages 191-220

12. Doped Conjugated Polymers: Theory and Experiment

    • R. R. Chance, D. S. Boudreaux, H. Eckhardt, R. L. Elsenbaumer, J. E. Frommer, J. L. Brédas et al.

    Pages 221-248

13. Resonant Interaction between Laser Pulses and Surface Layers

    • Joachim Heidberg

    Pages 249-258

14. Energy Transfer and Molecular Weight Effects on Polymer Luminescence

    • Charles E. Swenberg, Robert T. Devine

    Pages 259-277

15. Calculational Methods for Disordered Quasi-One-Dimensional Systems

    • Frank Martino

    Pages 279-306

16. Effect of Local Perturbations on the Electronic Structure of Organic Polymers

    • G. Del Re

    Pages 307-324

17. Electronic Localization and Delocalization in Organic Metals and Semiconductors

    • Charles B. Duke

    Pages 325-335

18. Electronic Structure of Highly Conducting Polymers and Biopolymers; Solid State Aspects

    • Janos J. Ladik

    Pages 337-359

19. Large Scale Ab Initio Band Structure Calculations of Polynucleotides and Polypeptides

    • Peter Otto

    Pages 361-392

20. Back Matter

    Pages 393-422

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The NATO Advanced Study Institute on "Quantum Chemistry of Polymers; Solid State Aspects" lIIas held at the MARITIM Congress Hotel Braunlage/Harz in the Federal Republic of Germany from July 25 - August 5, 1983. We lIIish to express our deep gratitude to the NATO Scientific Affairs Division, the main sponsor of the Institute, and to the National Foundation for Cancer Research, Bethesda, Maryland for their substantial support. We sincerely thank Dr. Craig Sinclair, Director of the NATO Advanced Study Institutes program as lIIell as the IIIhole Advanced Study Institute/Advanced Research Workshop Advisory Board of the NATO Scientific Affairs Division, IIIho have honored us by holding their external annual meeting during this School in Braunlage. We are very much indebted also to Dr. Mario Di Lullo, Director of the Advanced Research Workshop program of the NATO Scientific Affairs Division IIIho together lIIith Dr. Sinclair has given a very informative lecture about the NATO ASI/ARW programs. Special thanks are due to Mr. Franklin Salisbury, Executive Director of the National Foundation for Cancer Research, to Mrs. Tamara Salisbury, Deputy Director of the National Foundation for Cancer Research and to Dr. Mary Hennen Aldridge, President of the National Foundation for Cancer Research, IIIho also honored the School lIIith their presence.

• XPS
• biopolymer
• biopolymers
• cancer
• crystal
• electron
• laser
• luminescence
• metals
• quantum chemistry
• recombination
• semiconductor
• spectra
• structure
• synthesis

• Friedrich-Alexander-Universität Erlangen-Nürnberg, Erlangen, Germany

  Janos Ladik, Max Seel

• Laboratoire de Chimie Théorique Appliquée, Facultés Universitaires de Namur, Namur, Belgium

  Jean-Marie André

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