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Published in The Astrophysical Journal
The Institute of Physics (IOP) is a leading scientific society promoting physics and bringing physicists together for the benefit of all. It has a worldwide membership of around 50 000 comprising physicists from all sectors, as well as those with an interest in physics. It works to advance physics research, application and education; and engages wi...
Published in The Journal of Chemical Physics
Current efforts to characterize and study interstellar polycyclic aromatic hydrocarbons (PAHs) rely heavily on theoretically predicted infrared (IR) spectra. Generally, such studies use the scaled harmonic frequencies for band positions and double harmonic approximation for intensities of species, and then compare these calculated spectra with expe...
Published in The Journal of Chemical Physics
A full derivation of the analytic transformation of the quadratic, cubic, and quartic force constants from normal coordinates to Cartesian coordinates is given. Previous attempts at this transformation have resulted in non-linear transformations; however, for the first time, a simple linear transformation is presented here. Two different approaches...