Prediction of the unknown crystal structure of creatine using fully quantum mechanical methods

Chemical Compounds

• Quantum Mechanical Method 84%
• Creatine 78%
• Crystal Structure 31%
• Periodic System 18%
• Terahertz Spectroscopy 18%
• Force 16%
• Intermolecular Force 10%
• P21 10%
• Powder X-Ray Diffraction 9%
• Density Functional Theory 7%

Physics & Astronomy

• creatine 100%
• crystal structure 49%
• predictions 33%
• intermolecular forces 16%
• density functional theory 9%
• solid state 9%
• diffraction 6%
• spectroscopy 6%
• x rays 5%

Engineering & Materials Science

• Crystal structure 80%
• Discrete Fourier transforms 27%
• Terahertz spectroscopy 22%
• X ray powder diffraction 18%
• Density functional theory 18%
• Time varying systems 14%