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physics.chem-ph2026
An effective bath state approach to model infrared spectroscopy and intramolecular dynamics in complex molecules
Loïse Attal, Cyril Falvo, Pascal Parneix
When a molecule contains more than a few atoms, its full-dimensional dynamics becomes untractable, especially when introducing temperature effects. In such a case, it can be intere…
physics.chem-ph2026
Modeling the emission spectra of polycyclic aromatic hydrocarbons by recurrent fluorescence
Damien Borja, Florent Calvo, Pascal Parneix +1
Recurrent fluorescence (RF) is an important relaxation mechanism in polycyclic aromatic hydrocarbons (PAHs), which could stabilize them and contribute to the production of aromatic…