Quasiclassical trajectory studies of N+OH, O+NH, and H+NO collisions using global ab initio potential energy surfaces

Keyphrases

• Low Temperature 100%
• Potential Surface 100%
• Rotational Excitation 100%
• Quasi-classical Trajectory 100%
• Vibrational Distribution 100%
• Ab Initio Potential Energy Surface 100%
• Ab Initio Calculations 50%
• Order of Magnitude 50%
• Hydrogen Abstraction 50%
• Electronic States 50%
• Dissociation 50%
• Non-reactivity 50%
• Statistical Distribution 50%
• Overall Rate 50%
• Vibrational Excitation 50%
• H Atoms 50%
• Absolute Cross Sections 50%
• Isomerization 50%
• Reactive Cross Section 50%
• Reactive Collisions 50%
• Collisional Relaxation 50%
• Spectral Interference 50%
• Statistical Averaging 50%
• Global Potential 50%

Chemistry

• Rate Constant 100%
• Rotational Excitation 100%
• Surface Potential 100%
• Potential Energy Surface 100%
• Electronic State 50%
• Vibrational Excitation 50%
• Ab Initio Calculation 50%
• Collisional Relaxation 50%
• Isomerization 50%