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Fully Atomistic Real-Time Simulations of Transient Absorption Spectroscopy

Franco P Bonafé1,2, Federico J Hernández1,2, Bálint Aradi3

  • 1Departamento de Química Teórica y Computacional, Facultad de Ciencias Químicas , Universidad Nacional de Córdoba , Córdoba , Argentina.

The Journal of Physical Chemistry Letters
|July 20, 2018
PubMed
Summary

We developed a new method to observe ultrafast molecular vibrations in zinc(II) tetraphenylporphyrin. This technique reveals quantum beats, indicating the impulsive excitation of specific chemical bonds during Soret excitation.

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