IR spectra of N -methylacetamide in water predicted by combined quantum mechanical/molecular mechanical molecular dynamics simulations

Chemical Compounds

• N-Methylacetamide 100%
• IR Spectrum 59%
• Solute 57%
• Molecular Dynamics 51%
• Dipole 46%
• Simulation 44%
• Dipole Moment 43%
• Autocorrelation Function 34%
• Amide 33%
• AM1 Calculation 31%
• Peptide 27%
• Solvent 21%
• Polarization 17%
• Aqueous Solution 12%

Physics & Astronomy

• solutes 63%
• amides 58%
• peptides 51%
• molecular dynamics 50%
• dipole moments 42%
• water 39%
• dipoles 34%
• simulation 26%
• autocorrelation 22%
• aqueous solutions 21%
• casts 20%
• scaling 16%
• bandwidth 16%
• polarization 12%
• electronics 12%