Electronic Structure of Polymers and Molecular Crystals

Editors:

ISBN: 978-1-4757-0321-4 (Print) 978-1-4757-0319-1 (Online)

Table of contents (19 chapters)

  1. Front Matter

    Pages i-x

  2. No Access

    Book Chapter

    Pages 1-21

    Ab Initio and Semi-Empirical Band Structure Calculations on Polymers

  3. No Access

    Book Chapter

    Pages 23-52

    Different LCAO Band Structure Calculation Methods for Periodic Polymers and Molecular Crystals

  4. No Access

    Book Chapter

    Pages 53-78

    Numerical Problems in Calculating Electronic Structure of One-Dimensional Chains

  5. No Access

    Book Chapter

    Pages 79-157

    Optical Properties of Molecular Crystals

  6. No Access

    Book Chapter

    Pages 159-169

    Electronic and Structural Considerations in the Quest for Excitonic Polymeric Superconductors

  7. No Access

    Book Chapter

    Pages 171-198

    Effect of Symmetry on the Band Structure of Polymers

  8. No Access

    Book Chapter

    Pages 199-226

    X-Ray Structure Determination of Polymers

  9. No Access

    Book Chapter

    Pages 227-257

    Experimental Charge Densities in Solids and their Significance for Theoretical Calculations

  10. No Access

    Book Chapter

    Pages 259-387

    Structure and Bonding in Polymers as Revealed by Electron Spectroscopy for Chemical Applications (ESCA)

  11. No Access

    Book Chapter

    Pages 389-404

    Electronic Correlation in Polymers and Molecular Crystals

  12. No Access

    Book Chapter

    Pages 405-452

    Ab-Initio SCF-LCAO Hartree-Fock Calculations and the Determination of Correlation Corrections in Three-Dimensional Crystals

  13. No Access

    Book Chapter

    Pages 453-477

    Electronic Structure Calculations on Crystals and Polymers

  14. No Access

    Book Chapter

    Pages 479-504

    Non-Empirical Molecular Orbital Theory for Molecular Crystals

  15. No Access

    Book Chapter

    Pages 505-545

    Interaction Between Polymer Constituents and the Structure of Biopolymers

  16. No Access

    Book Chapter

    Pages 547-599

    Conformation of Constituents in Molecular Crystals

  17. No Access

    Book Chapter

    Pages 601-657

    Applications of the SCF-Xα Scattered-Wave Method to Molecular Crystals and Polymers

  18. No Access

    Book Chapter

    Pages 659-661

    Electron States of Disordered Chains

  19. No Access

    Book Chapter

    Pages 663-679

    Semiempirical Energy Band Structures of Periodic DNA and Protein Models

  20. No Access

    Book Chapter

    Pages 681-698

    Protein Energy Converters

  21. Back Matter

    Pages 699-704