A first principle study of terahertz (THz) spectra of acephate

Keyphrases

• Solid State 100%
• First-principles Study 100%
• Isolated Molecules 100%
• Terahertz Spectrum 100%
• Acephate 100%
• Hydrogen Bonds (H-bonds) 50%
• Temperature Effect 50%
• Room Temperature 50%
• Experimental Spectra 50%
• First-principles Calculations 50%
• Infrared Spectra 50%
• Terahertz 50%
• Periodic Systems 50%
• Dipole 50%
• Anharmonicity 50%
• Molecular State 50%
• Terahertz Time-domain Spectroscopy (THz-TDS) 50%
• Solid Form 50%
• Normal Mode Analysis 50%
• Density Functional Method 50%
• Active Vibration 50%
• Harmonic Frequency 50%
• Car-Parrinello Molecular Dynamics 50%
• Solid-state Calculations 50%
• Intermolecular Vibration 50%
• Molecular Forms 50%
• Spectral Character 50%
• Frequency Method 50%
• FTIR Technique 50%
• Molecule States 50%
• Intramolecular Motion 50%

Chemistry

• First Principle 100%
• Normal Modes 100%
• Isolated Molecule 100%
• Acephate 100%
• Molecular Dynamics 50%
• Hydrogen Bonding 50%
• Molecular Vibration 50%
• Ambient Reaction Temperature 50%
• Anharmonicity 50%

Material Science

• Density 100%
• Hydrogen Bonding 100%