Quantum vibration perturbation approach with polyatomic probe in simulating infrared spectra

Physics & Astronomy

• chromophores 100%
• infrared spectra 87%
• vibrational spectra 69%
• perturbation 61%
• vibration 60%
• probes 55%
• perturbation theory 51%
• molecular dynamics 44%
• predictions 32%
• statistical mechanics 32%
• frequency shift 29%
• aqueous solutions 28%
• substitutes 24%
• trajectories 24%
• wave functions 23%
• operators 21%
• molecules 16%
• simulation 11%

Chemical Compounds

• Chromophore 76%
• Perturbation Theory 71%
• Vibrational Spectrum 59%
• Probe 56%
• Vibrational Potential 50%
• Molecular Dynamics 45%
• Statistical Mechanics 42%
• Wave Function 35%
• Vibrational Frequency 29%
• Molecular Cluster 20%
• Simulation 19%
• Substitution Reaction 19%
• Environment 17%
• Aqueous Solution 15%
• Time 11%
• Molecule 10%