Density functional theory calculation of vibrational spectroscopy of trans-1,2-bis(4-pyridyl)-ethylene

Keyphrases

• Density Functional Calculations 100%
• Vibrational Spectroscopy 100%
• Trans-1 100%
• Density Functional Theory 75%
• B3LYP 75%
• Fourier Transform Infrared Spectroscopy (FT-IR) 50%
• Foil Substrate 50%
• Near-infrared 50%
• Correlation Function 50%
• Vibrational Frequencies 50%
• Fourier Transform Raman 50%
• Substrate Surface 25%
• Surface-enhanced Raman Scattering 25%
• Three-parameter 25%
• Bond Length 25%
• Electromagnetic Enhancement 25%
• Parr 25%
• Surface-enhanced Raman Scattering Spectrum 25%
• Bond Angle 25%
• Enhancement Model 25%
• Molecular Geometry 25%
• P-base 25%

Chemistry

• Ethylene 100%
• Density Functional Theory 75%
• DFT-B3LYP Calculation 75%
• Silver 50%
• Vibrational Frequency 50%
• Surface-Enhanced Raman Spectroscopy 50%
• FT-Raman 50%
• Ground State 25%
• Selection Rule 25%
• Bond Length 25%
• Bond Angle 25%
• Molecular Geometry 25%
• Electromagnetism 25%