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Substituent Effect on the π Linkers in Triphenylamine Dyes for Sensitized Solar Cells: A DFT/TDDFT Study

Jie Xu, Ligen Zhu, Dong Fang, Biao Chen,  Li Liu,  Luoxin Wang,  Weilin Xu

ChemPhysChem., vol: 13, num: 14, 3320–3329, published: 08 October 2012,

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

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

   Atoms and molecules.
      Electronic shells of molecules.
         Wave functions, molecular integrals.
            Electronic densities,

   Atoms and molecules.
      Geometry, rotation and vibration of molecules.
         Geometry of molecules.
            Configuration of molecules.
               Organic compounds.