#  Computational tools and methods 

 



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##  Our work 

   ![aibn.jpg](/sites/g/files/omnuum11321/files/styles/hwp_1_1__360x360_scale/public/efthimios_kaxiras/files/aibn.jpg?itok=E6JrBmAP) 

 

Snapshot taken near the end of a simulation where an excited-state AIBN molecule dissociates, forming a pair of radicals and a nitrogen molecule. The red (orange) isosurfaces indicate positive (negative) spin density..

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Real time simulation.