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A molecular vibration is a periodic motion of the atoms of a molecule relative to each other, such that the center of mass of the molecule remains unchanged. The typical vibrational frequencies range from less than 10 13 Hz to approximately 10 14 Hz, corresponding to wavenumbers of approximately 300 to 3000 cm −1 and wavelengths of approximately 30 to 3 μm.
Normal coordinates decouple the classical vibrational motions of the molecule and thus give an easy route to obtaining vibrational amplitudes of the atoms as a function of time. In Wilson's GF method it is assumed that the molecular kinetic energy consists only of harmonic vibrations of the atoms, i.e., overall rotational and translational ...
The vibration theory of smell proposes that a molecule's smell character is due to its vibrational frequency in the infrared range. This controversial theory is an alternative to the more widely accepted docking theory of olfaction (formerly termed the shape theory of olfaction), which proposes that a molecule's smell character is due to a range of weak non-covalent interactions between its ...
A phonon is a collective excitation in a periodic, elastic arrangement of atoms or molecules in condensed matter, specifically in solids and some liquids.A type of quasiparticle in physics, [1] a phonon is an excited state in the quantum mechanical quantization of the modes of vibrations for elastic structures of interacting particles.
A diatomic molecule has one molecular vibration mode: the two atoms oscillate back and forth with the chemical bond between them acting as a spring. A molecule with N atoms has more complicated modes of molecular vibration, with 3N − 5 vibrational modes for a linear molecule and 3N − 6 modes for a nonlinear molecule. [4]
Pages in category "Molecular vibration" The following 7 pages are in this category, out of 7 total. This list may not reflect recent changes. ...
These methods are termed mixed or hybrid quantum-mechanical and molecular mechanics methods (hybrid QM/MM). [51] The most important advantage of hybrid QM/MM method is the speed. The cost of doing classical molecular dynamics (MM) in the most straightforward case scales O(n 2), where n is the number of atoms in the system. This is mainly due to ...
In addition to electronic quantum states, molecules have internal degrees of freedom corresponding to rotational and vibrational motion. At appreciable temperatures, many of these new motional modes are excited, resulting in constant motion as seen above. Molecular physics is the study of the physical properties of molecules and molecular dynamics.