Chemical Kinetics and Reaction Dynamics

作者: Santosh K Upadhyay

DOI:

关键词: Chemical kineticsComputational chemistryReaction rate constantEntropy of activationTransition stateCollision theoryThermodynamicsMore O'Ferrall–Jencks plotElementary reactionChemistryReactions on surfaces

摘要: Preface 1. Elementary 1.1. Rate of Reaction 1.2. Constant 1.3. Order and Molecularity 1.4. Equations 1.5. Half-life a 1.6. Zero Reactions 1.7. First 1.8. Radioactive Decay as Phenomenon 1.9. Second 1.10. Third 1.11. Determination 1.12. Experimental Methods Chemical Kinetics Exercises 2. Temperature Effect on 2.1. Derivation Arrhenius Equation 2.2. Energy Activation Factor 2.3. Potential Surface 2.4. Significance 3. Complex 3.1. Reversible 3.2. Parallel 3.3. Consecutive 3.4. Steady-State Treatment 3.5. Chain 4. Theories 4.1. Equilibrium 4.2. Partition Functions Statistical Mechanics 4.3. Activated 4.4. Collision Theory 4.5. Transition State 4.6. Unimolecular the 4.7. Kinetic Thermodynamic Control 4.8. Hammond's Postulate 4.9. Probing 5. Some Special 5.1. Photochemical 5.2. Oscillatory 5.3. Polymerization 5.4. Solid 5.5. Electron Transfer 6. Catalyzed 6.1. Catalysis 6.2. 6.3. Characteristics Catalytic 6.4. Mechanism 6.5. Energies 6.6. Acid Base 6.7. Enzyme 6.8. Influence pH 6.9. Heterogeneous 6.10. Micellar 6.11. Phase 6.12. Inhibition 7. Fast 7.1. Introduction 7.2. Flow Techniques 7.3. Relaxation Method 7.4. Shock Tubes 7.5. Flash Photolysis 7.6. ESR Spectroscopic Technique 7.7. NMR 8. in Solutions 8.1. 8.2. Absolute 8.3. Internal Pressure 8.4. Solvation 8.5. between Ions 8.6. Entropy Change 8.7. Ionic Strength (Salt Effect) 8.8. Secondary Salt 8.9. Dipoles 8.10. Isotope 8.11. Solvent 8.12. Hemmett 8.13. Linear Free Relationship 8.14. The Taft 8.15. Compensation 9. Dynamics 9.1. Molecular 9.2. Microscopic-Macroscopic Relation 9.3. 9.4. Distribution Velocities Molecules 9.5. for Collisions with Relative Speeds 9.6. Cross Sections 9.7. 9.8. 9.9. Classical Trajectory Calculations 9.10. 9.11. Disposal Excess 9.12. Rotational 9.13. Suggested Readings Index

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