Ab initio Hartree-Fock and density functional studies on the structures and vibrations of an infinite hydrogen fluoride polymer

Physics & Astronomy

• hydrofluoric acid 100%
• vibration 52%
• polymers 46%
• oligomers 9%
• molecules 8%
• hydrogen bonds 8%
• molecular orbitals 7%
• crystals 7%
• frequency shift 7%
• monomers 7%
• binding energy 6%
• orbitals 5%
• perturbation 5%
• gradients 5%
• shift 4%
• energy 2%

Chemical Compounds

• Hydrogen Fluoride 99%
• Density Functional Theory 50%
• Molecular Orbital 36%
• Orbital 33%
• Oligomer 32%
• Hydrogen Bond 24%