A theoretical kinetic study on the reaction of atomic bromine with toluene

Keyphrases

• Toluene 100%
• Kinetic Study 100%
• Bromine 100%
• Theoretical Kinetics 100%
• Reaction Pathway 66%
• Methyl 33%
• Rate Coefficients 33%
• Quantum Chemistry 16%
• Optimized Geometry 16%
• Single Point 16%
• Barrier Height 16%
• Theory Calculation 16%
• Hydrogen Atom 16%
• CCSD(T) 16%
• B3LYP 16%
• Cc-pVTZ 16%
• Stationary Point 16%
• Cc-pVDZ 16%
• Potential Energy Surface 16%
• Energy Profile 16%
• Complex Forms 16%
• CBS-QB3 16%
• Hydrogen Abstraction Reaction 16%
• Enthalpy of Formation 16%
• Statistical Rate Theory 16%
• Addition-elimination Mechanism 16%
• Cyclic Ethers 16%
• Composite Methods 16%
• Product Radicals 16%
• Forming Mechanism 16%
• Intermediate Complex 16%
• Standard Enthalpy of Formation 16%

Chemistry

• Kinetic Study 100%
• Enthalpy of Formation 100%
• Potential Energy Surface 50%
• Cyclic Ether 50%
• DFT-B3LYP Calculation 50%
• CCSD 50%
• Møller-Plesset Perturbation Theory 50%
• Hydrogen 50%
• Hydrogen Atom 50%
• Chemical Method 50%