Ab initio calculations of the transition-state geometry and vibrational frequencies of the S_N2 reaction of Cl^- with CH₃Cl

Chemical Compounds

• Vibrational Frequency 61%
• Ab Initio Calculation 54%
• Transition State 52%
• Electron Correlation Energy 42%
• Rate Constant 41%
• Transition State Theory 37%
• Reaction Path 33%
• Energy 29%
• Simulation 19%
• Reaction Yield 12%

Engineering & Materials Science

• Vibrational spectra 100%
• Rate constants 52%
• Geometry 38%
• Charge distribution 30%
• Set theory 13%
• Gases 12%

Physics & Astronomy

• geometry 35%
• saddle points 23%
• charge distribution 20%
• energy 18%
• vapor phases 16%
• estimates 12%
• simulation 8%