Computational Quantum Chemistry
eBook - ePub

Computational Quantum Chemistry

Insights into Polymerization Reactions

  1. 384 pages
  2. English
  3. ePUB (mobile friendly)
  4. Available on iOS & Android
eBook - ePub

Computational Quantum Chemistry

Insights into Polymerization Reactions

About this book

Computational Quantum Chemistry: Insights into Polymerization Reactions consolidates extensive research results, couples them with computational quantum chemistry (CQC) methods applicable to polymerization reactions, and presents those results systematically. CQC has advanced polymer reaction engineering considerably for the past two decades. The book puts these advances into perspective. It also allows you to access the most up-to-date research and CQC methods applicable to polymerization reactions in a single volume. The content is rigorous yet accessible to graduate students as well as researchers who need a reference of state-of-the-art CQC methods with polymerization applications.- Consolidates more than 10 years of theoretical polymerization reaction research currently scattered across journal articles- Accessibly presents CQC methods applicable to polymerization reactions- Provides researchers with a one-stop source of the latest theoretical developments in polymer reaction engineering

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Yes, you can access Computational Quantum Chemistry by Masoud Soroush in PDF and/or ePUB format, as well as other popular books in Physical Sciences & Physical & Theoretical Chemistry. We have over one million books available in our catalogue for you to explore.

Table of contents

  1. Cover image
  2. Title page
  3. Table of Contents
  4. Copyright
  5. List of Contributors
  6. Preface
  7. Chapter 1. Polymers, Polymerization Reactions, and Computational Quantum Chemistry
  8. Chapter 2. A Quantum Mechanical Approach for Accurate Rate Parameters of Free-Radical Polymerization Reactions
  9. Chapter 3. Determination of Reaction Rate Coefficients in Free-Radical Polymerization Using Density Functional Theory
  10. Chapter 4. Theoretical Insights Into Thermal Self-Initiation Reactions of Acrylates
  11. Chapter 5. Theoretical Insights Into Chain Transfer Reactions of Acrylates
  12. Chapter 6. Theory and Applications of Thiyl Radicals in Polymer Chemistry
  13. Chapter 7. Contribution of Computations to Metal-Mediated Radical Polymerization
  14. Chapter 8. A General Model to Explain the Isoselectivity of Olefin Polymerization Catalysts
  15. Chapter 9. From Mechanistic Investigation to Quantitative Prediction: Kinetics of Homogeneous Transition Metal-Catalyzed α-Olefin Polymerization Predicted by Computational Chemistry
  16. Chapter 10. Theoretical Insights into Olefin Polymerization Catalyzed by Cationic Organo Rare-Earth Metal Complexes
  17. Index