Vibrational spectrum of katoite Ca₃Al₂[(OH) ₄]₃: A periodic ab initio study

Compuestos químicos

• Anharmonic Oscillator 100%
• Point Group 74%
• Normal Modes 65%
• Hamiltonian 64%
• Vibrational Spectrum 54%
• Octahedral Crystal 52%
• Block Like Crystal 38%
• Substitution Reaction 35%
• Energy 26%

Ingeniería y ciencia de los materiales

• Vibrational spectra 89%
• Stretching 60%
• Point groups 30%
• Bending (forming) 26%
• Hamiltonians 22%
• Freezing 20%
• Atoms 19%
• Substitution reactions 18%
• Derivatives 15%
• Set theory 12%
• Experiments 6%

Física y astronomía

• vibrational spectra 63%
• numerical differentiation 24%
• Hessian matrices 12%
• Schroedinger equation 11%
• harmonics 11%
• Cartesian coordinates 10%
• octahedrons 8%
• cells 8%
• numerical integration 8%
• freezing 8%
• self consistent fields 8%
• vibration mode 7%
• substitutes 6%
• interactions 6%
• oscillators 6%
• vibration 5%
• symmetry 4%
• matrices 4%
• atoms 4%
• energy 2%