A conformational analysis and vibrational spectroscopic investigation on 1,2-bis(o-carboxyphenoxy) ethane molecule

Keyphrases

• Ethane 100%
• Spectroscopic Investigation 100%
• Force Field 100%
• Conformational Analysis 100%
• Vibrational Spectroscopy 100%
• Raman Spectra 66%
• Spectral Data 66%
• Room Temperature 33%
• Density Functional Theory 33%
• B3LYP 33%
• Dimerization 33%
• Molecular Dynamics Simulation 33%
• IR Spectra 33%
• Charge Distribution 33%
• Experimental Spectra 33%
• Intermolecular Hydrogen Bond 33%
• Fundamental Band 33%
• Hydrogen Bonding Interaction 33%
• Conformational Structure 33%
• Potential Energy Surface 33%
• Factor Approach 33%
• Equilibrium Geometry 33%
• HOMO-LUMO Gap 33%
• Minimum Energy 33%
• Gap Force 33%
• Experimental Room 33%
• Electronic Structure Calculations 33%
• Vibrational Normal Modes 33%
• Crown Structure 33%
• Dual Scale Factors 33%
• Theoretical Data 33%
• Stable Conformation 33%

Chemistry

• Conformational Isomer 100%
• Monomer 33%
• Ambient Reaction Temperature 33%
• DFT-B3LYP Calculation 33%
• Band Gap 33%
• Lowest Unoccupied Molecular Orbital 33%
• Ground State 33%
• Dimerization 33%
• Potential Energy Surface 33%
• Normal Modes 33%
• Electronic State 33%
• IR Spectrum 33%
• Charge Distribution 33%
• Hydrogen Bonding 33%
• electronics 33%
• Raman Spectra 33%
• dimer 33%