Computational Quantum Chemistry

<p>1. Polymers, Polymerization Reactions, and Computational Quantum Chemistry<br>2. A Quantum Mechanical Approach for Accurate Rate Parameters of Free-Radical Polymerization Reactions<br>3. Determination of Reaction Rate Coefficients in Free-Radical Polymerization Using Density Functional Theory<br>4. Theoretical Insights Into Thermal Self-Initiation Reactions of Acrylates<br>5. Theoretical Insights Into Chain Transfer Reactions of Acrylates<br>6. Theory and Applications of Thiyl Radicals in Polymer Chemistry<br>7. Contribution of Computations to Metal-Mediated Radical Polymerization<br>8. A General Model to Explain the Isoselectivity of Olefin Polymerization Catalysts<br>9. From Mechanistic Investigation to Quantitative Prediction: Kinetics of Homogeneous Transition Metal-Catalyzed α-Olefin Polymerization Predicted by Computational Chemistry<br>10. Theoretical Insights into Olefin Polymerization Catalyzed by Cationic Organo Rare-Earth Metal Complexes</p>