Inelastic neutron scattering spectra of free base and zinc porphines: A comparison with DFT-based vibrational analysis

Keyphrases

• Free Zinc 100%
• Vibrational Analysis 100%
• Base-free 100%
• Porphine 100%
• Scaling Technique 40%
• Reliability Level 20%
• B3LYP/6-31G 20%
• Vibrational Assignment 20%
• Vibrational Properties 20%
• P-base 20%
• Frequency Scaling 20%
• Optical Spectra 20%
• Scattering Intensity 20%
• B3LYP Functional 20%
• SQM Force Field 20%
• B3LYP 20%
• Porphyrin 20%
• Complexity Level 20%
• Density Functional Calculations 20%
• IR Spectra 20%
• Quantum Mechanical 20%
• Zinc 20%

Chemistry

• DFT-B3LYP Calculation 60%
• IR Spectrum 20%
• Porphyrin 20%