Importance of quantum effects for C-H bond activation reactions

Keyphrases

• Methane 100%
• Activation Reaction 100%
• C-H Bond Activation 100%
• Quantum Effects 100%
• Tunneling 50%
• Density Functional Theory 50%
• Potential Energy 50%
• Reaction Pathway 50%
• Order of Magnitude 50%
• Vibrational Modes 50%
• Rate Calculations 50%
• Temperature Range 50%
• Born-Oppenheimer 50%
• C-H Bond 50%
• Vibrational Frequencies 50%
• Direct Dynamics 50%
• Zero-point Energy 50%
• Rh(III) 50%
• Reaction Rate Constant 50%
• Excited Vibrational States 50%
• Vibrational Energy 50%
• Classical Mechanics 50%
• Dynamic Approach 50%
• Atomic Motion 50%
• Rh(I) 50%
• Path Geometry 50%
• Small Curvature Tunneling 50%
• Quantum Mechanical Tunneling 50%

Chemistry

• Chemical Activation 100%
• Methane 100%
• C-H Bond Activation 100%
• Rate Constant 66%
• Reaction Path 33%
• Vibrational Frequency 33%
• Vibrational Energy 33%
• Reaction Rate Constant 33%
• Excited Vibrational State 33%
• Potential Energy 33%
• Zero Point Energy 33%
• Classical Mechanics 33%
• Hydrogen Chloride 33%
• Density Functional Theory 33%