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Multi-structural thermodynamics of C–H bond dissociation in hexane and isohexane yielding seven isomeric hexyl radicals

Jingjing Zheng, Tao Yu,  Donald G. Truhlar

Phys. Chem. Chem. Phys., vol: 13, num: 43, 19318-19324, published: 21 November 2011,


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

   Atoms and molecules.
      Electronic shells of molecules.
         Energy states and transitions.
            Dissociation energies, atomisation heats.

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