Solid-state density functional theory investigation of the terahertz spectra of the structural isomers 1,2-dicyanobenzene and 1,3-dicyanobenzene

Medicine & Life Sciences

• 1,2-benzenedicarbonitrile 100%
• 1,3-dicyanobenzene 96%
• Density Functional Theory 67%
• Crystallization 23%
• Vibration 21%
• Spectrum Analysis 19%

Physics & Astronomy

• isomers 38%
• density functional theory 29%
• solid state 29%
• lattice vibrations 8%
• functionals 7%
• low frequencies 5%
• waveguides 5%
• high resolution 4%
• molecules 4%
• crystals 3%
• simulation 2%

Chemical Compounds

• Constitutional Isomer 46%
• Compound Isomer 26%
• Density Functional Theory 23%
• Simulation 12%
• Modification 10%
• Molecule 6%