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Different electronic structures and spectroscopic properties of cationic [M(ppy)2(N[logical and]N)]+ (M = Rh, Ir; N[logical and]N = Hcmbpy, H2dcbpy), a DFT study

Li Xiao-Na/Wu Zhi-Jian/Zhang Hong-Jie/et al.

Phys. Chem. Chem. Phys., vol: 11, num: 29, 6051-6059, published: 14 May 2009,

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

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

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