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Evaluating push–pull dye efficiency using TD-DFT and charge transfer indices

Gregorio García, Carlo Adamo, Ilaria Ciofini

Phys. Chem. Chem. Phys., vol: 15, num: 46, 20210-20219, published: 14 December 2013,


   Atoms and molecules.
      Electronic shells of molecules.
         Energy states and transitions.
            Classification energy of states and transition frequencies.
               Poliatomic molecules.

   Atoms and molecules.
      General problems of atomic and molecular physics.
         Methods of the quantum mechanics of atoms and molecules.
            Molecules.

   Atoms and molecules.
      Interaction of atoms and molecules with external fields and radiation.
         Transitions between electronic states.
            Lifetimes and transition probabilities for molecules.

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