Calculations of intermode coupling constants and simulations of amide I, II, and III vibrational spectra of dipeptides

Keyphrases

• Coupling Constant 100%
• Dipeptide 100%
• Vibrational Spectra 100%
• Amide I 100%
• Amide II 100%
• Amide III 100%
• Coupled Simulation 100%
• Amides 60%
• Polypeptide 40%
• Local Mode 40%
• Protein Structure 20%
• Computational Results 20%
• Density Functional Theory 20%
• Vibrational Circular Dichroism 20%
• Protein Dynamics 20%
• Calculation Results 20%
• Frequency Mode 20%
• Vibrational Properties 20%
• Reconstruction Method 20%
• Hessian Matrix 20%
• Matrix Reconstruction 20%
• Computational Methods 20%
• IR Spectra 20%
• Backbone Conformation 20%
• IR Absorption 20%
• Proteins in Solution 20%
• Delocalization 20%
• 2DIR 20%

Chemistry

• Carboxamide 100%
• Dipeptide 100%
• Vibrational Spectra 100%
• Polypeptide 40%
• Normal Modes 20%
• Conformational Isomer 20%
• Density Functional Theory 20%
• Vibrational Circular Dichroism 20%
• IR Absorption 20%
• IR Spectrum 20%