Pocket and antipocket conformations for the CH₄@C₈₄ endohedral fullerene

Keyphrases

• C-H Bond 50%
• Density Functional Theory 50%
• Endohedral Fullerenes 100%
• Harmonic Approximation 50%
• IR Spectra 50%
• Isoelectronic 50%
• Methane 50%
• Perturbation Theory 50%
• Vibrational Levels 50%
• Vibrational Modes 50%

Chemistry

• Density Functional Theory 20%
• Fullerene 100%
• IR Spectrum 20%
• k·p perturbation theory 20%
• Methane 100%
• Møller-Plesset Perturbation Theory 20%
• Vibrational Level 20%