Rotational molecular motion in NH3 and ND3 crystals

A model intermolecular interaction potential is suggested and used to calculate the temperature dependence of librational energies, order parameters, free energy, heat capacity, and Grüneisen constant of the rotational subsystems of solid ammonia and deutero-ammonia. The calculations are performed in the anharmonic approximation, using the Bogolyubov variational method. The nature of the anomalous isotope effect is explained.

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