Vibrational spectroscopy and DFT calculations of the di-amino acid peptide L-aspartyl-L-glutamic acid in the zwitterionic state

Keyphrases

• Glutamic Acid 100%
• DFT Calculations 100%
• Vibrational Spectroscopy 100%
• Diamino Acids 100%
• Zwitterionic Form 100%
• Raman Spectra 66%
• Vibrational Spectra 66%
• L-Asp 66%
• L-Glu 66%
• Solution State 66%
• Vibrational Assignment 33%
• Normal Coordinate Analysis 33%
• Potential Energy Distribution 33%
• Water Molecule 33%
• Deuteration 33%
• Aqueous Solution 33%
• Solid State 33%
• Cc-pVDZ 33%
• Optimized Molecular Geometries 33%
• Polarizable Continuum 33%
• Hydrogen-bonded Water 33%
• Continuum Solvation Model 33%
• Experimental IR 33%
• Amides 33%
• Zwitterionic Structure 33%

Chemistry

• L-Glutamic Acid 100%
• Density Functional Theory 100%
• vibrational spectroscopy 100%
• Diamino Acid 100%
• Aspartic Acid 100%
• Raman Spectra 66%
• Vibrational Spectra 66%
• Normal Coordinate Analysis 33%
• Potential Energy 33%
• Carboxamide 33%
• Molecular Geometry 33%
• Hydrogen 33%
• Normal Modes 33%
• Solvation 33%
• Hartree-Fock Calculation 33%
• Aqueous Solution 33%
• Solution 33%