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    STUDIA PHYSICA - Issue no. 1-2 / 2017  
         
  Article:   PHOTOPHYSICAL PROPERTIES OF PERYLENE MOLECULE.

Authors:  LARISA MILENA ŢIMBOLMAŞ, VASILE CHIŞ.
 
       
         
  Abstract:  
DOI: 10.24193/subbphys.2017.07

Published Online: 2017-12-20
Published Print: 2017-12-20
pp. 73-85

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In this work we investigated computationally the photophysics of the perylene molecule using the time‐dependent Density Functional Theory (TD-DFT). Particularly, we were interested in the vertical emission energy and radiative fluorescence lifetime of the investigated molecule. Using adequate models and proper computational methodologies we were able to satisfactorily predict the experimentally reported photophysical properties of the perylene core.

Keywords: perylene; photophysics; excited state; TD‐DFT; radiative lifetime
 
         
     
         
         
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