Ab initio MO calculations on the Structure and Raman and Infrared Spectra of the [Al4O2Cl10]2- oxide species in chloroaluminate melts

Chemistry

• Ab Initio Calculation 100%
• Oxide(2-) 100%
• Gaussian Distribution 100%
• Raman Spectrum 50%
• Force Constant 50%
• Vibrational Spectrum 50%
• IR Absorption 50%
• Restricted open-shell Hartree-Fock calculation 50%
• Normal Modes 50%
• Wavenumber 50%
• Point Group D3d 50%
• Chemistry 50%
• Aluminum 50%
• Complexation 50%
• Binding Energy 50%
• Ionic Liquid 50%

Keyphrases

• Chloroaluminate Melt 100%
• Ab Initio Molecular Orbital Calculation 100%
• Aluminum Chloride 50%
• IR Absorption 50%
• Raman Scattering Spectra 50%
• Bonding System 50%
• Ionic States 50%
• Restricted Hartree-Fock 50%
• Harmonic Force 50%

Material Science

• Ab Initio Calculation 100%
• Oxide Compound 100%
• Aluminum 33%
• Complexation 33%
• Ionic Liquid 33%