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Computational Quantum Chemistry Insights into Polymerization Reactions

Langue : Anglais

Coordonnateur : Soroush Masoud

Couverture de l’ouvrage Computational Quantum Chemistry

Computational Quantum Chemistry: Applications to Polymerization Reactions consolidates extensive research results, couples them with computational fundamentals, and presents those results systematically. The book also provides inclusive coverage of various theoretical advances made over the past decade, allowing you to access the most up-to-date research, fundamentals, and theory 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 techniques in computational quantum chemistry methods with polymerization applications.



  • Consolidates more than 10 years of polymerization reaction research currently scattered across journal articles
  • Accessibly presents the fundamental aspects of Computational Quantum Chemistry
  • Provides researchers with a one-stop source of the latest theoretical developments in polymer science

1. Introduction 2. Sulfur Centered Radical Reactivity by Computation and Experiment in the Polymer Field 3. QM Approach to Obtain Accurate Rate Parameters for Free Radical Polymerization Reactions 4. Determination of Reaction Rate Coefficients in FRP using DFT 5. Contribution of Computations in the Rationalization of Phenomena in Controlled Radical Polymerization 6. A General Model to Explain the Stereoselectivity of Olefin Polymerization Catalysts 7. Theoretical Insights into Free-Radical Self-Initiation Reactions of Acrylates

Physical Chemists and Chemical Engineers comprise the primary audience. Secondary audience consists of instructors and students taking related coursework.

Masoud Soroush, PhD, is a Professor in the Department of Chemical and Biological Engineering of Drexel University in Philadelphia, Pennsylvania. Dr. Soroush has been conducting research on polymers and polymer reaction engineering for more than twenty-five years. He has studied free-radical polymerization reactions experimentally and theoretically. Results of his work have been presented in a broad range of peer-reviewed journals globally.

Date de parution :

Ouvrage de 400 p.

19.1x23.5 cm

Disponible chez l'éditeur (délai d'approvisionnement : 14 jours).

193,44 €

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Thème de Computational Quantum Chemistry :

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