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Predicting bond dissociation energy and bond length for bimetallic diatomic molecules: a challenge for electronic structure theory

Junwei Lucas Bao, Xin Zhang, Xuefei Xu and Donald G. Truhlar

Phys. Chem. Chem. Phys., vol: 19, num: 8, 5839-5854, published: 28 February 2017,


   Atoms and molecules.
      Interaction of atoms and molecules with external fields and radiation.
         Photoionisation and photodissociation.
            Dissociation and other transformations of molecules by action of light.

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

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

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