Quantum vibration perturbation approach with polyatomic probe in simulating infrared spectra

Keyphrases

• Perturbation Theory 100%
• Vibrational Spectra 100%
• Chromophore 100%
• Infrared Spectra 100%
• Perturbation Approach 100%
• Molecular Dynamics 50%
• Molecular Dynamics Simulation 50%
• Aqueous Solution 50%
• Rapid Prediction 50%
• Semiclassical 50%
• Perturbation Method 50%
• Formic Acid 50%
• Spectral Line Shapes 50%
• Vibrational Frequency Shift 50%
• Molecular Solution 50%
• Vibration Dynamics 50%
• Specific Mode 50%
• Perturbation Operator 50%
• Substitution Process 50%
• Chromophore Molecules 50%
• Classical Statistical Mechanics 50%
• Line Shape Function 50%
• Vibrational Wave Functions 50%

Chemistry

• Chromophore 100%
• Infrared Radiation 100%
• k·p perturbation theory 66%
• Perturbation Theory 66%
• Vibrational Spectra 66%
• Molecular Dynamics 33%
• Vibrational Frequency 33%
• Lineshape 33%
• Vibrational Potential 33%
• Statistical Mechanics 33%
• Wave Function 33%
• Molecular dynamics simulation 33%
• Aqueous Solution 33%
• Solution 33%