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    Computational Quantum Chemistry

    Computational Quantum Chemistry

    - Insights into Polymerization Reactions

    Forfatter: info mangler
    Bog
    • Format
    • Bog, paperback
    • Engelsk

    Beskrivelse

    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.

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    Størrelse og vægt
  • Vægt790 g
    • coffee cup img
    10 cm
    book img
    19,1 cm
    23,5 cm

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    Se andre, der handler om...

    Polymerization Kinetics Quantum chemistry Polymers Acrylates Density-functional theory DFT DFT Calculations Computational prediction Selectivity Mechanism Thermodynamic Cycle Olefin Polymerization Spectroscopic Methods Self-healing polymers Quantum-mechanics Activation energy barrier Alkyl acrylates atom transfer radical polymerization Catalyzed radical termination Catalytic chain transfer Chain Transfer Agents backbiting Catalyst performance indicators Arrhenius parameters Computational accuracy Chain transfer reactions Entropy scaling Free-radical polymerization Computational quantum chemistry Computational catalyst pre-screening Copolymerization β-scission α-olefin Isotactic polypropylenes Macroscopic-scale modeling Organometallic-mediated radical polymerization Homolytic bond strengths Propene polymerization mechanisms Polar monomer Reaction rate coefficients Quantum chemical calculations Reversible-deactivation radical polymerization self-initiation Thermal initiation thiol Thiol-ene polymerization Ziegler-Natta polymerization Rate parameters Secondary reactions Rare-earth metal complex Stereoselective polymerization catalysis Thiol-yne polymerization

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