The vibrational spectrum of parabanic acid by inelastic neutron scattering spectroscooy and simulation by solid-state DFT

Medicine & Life Sciences

• Acids 6%
• Data Accuracy 8%
• Density Functional Theory 73%
• Hydrogen 39%
• Hydrogen Bonding 40%
• Neutron Diffraction 32%
• Neutrons 56%
• parabanic acid 100%
• Temperature 6%
• X-Ray Diffraction 10%

Physics & Astronomy

• acids 37%
• atoms 3%
• availability 7%
• data structures 9%
• density functional theory 32%
• energy 4%
• functionals 13%
• geometry 3%
• hydrogen 25%
• hydrogen atoms 13%
• inelastic scattering 37%
• interactions 5%
• molecules 14%
• neutron diffraction 13%
• neutron scattering 36%
• optimization 4%
• simulation 16%
• solid state 31%
• vibrational spectra 47%
• x rays 3%

Chemical Compounds

• Acid 2%
• Bond Length 7%
• Density Functional Theory 26%
• Dihedral Angle 14%
• Energy 3%
• Hydrogen 8%
• Hydrogen Atom 14%
• Inelastic Neutron Scattering 58%
• Molecule 8%
• Neutron Diffraction 17%
• Parabanic Acid 71%
• Simulation 26%
• Vibrational Energy 10%
• Vibrational Spectrum 40%
• X-Ray Diffraction 4%