Fifth Electronic Computational Chemistry Conference Paper 62.
VIBRATIONS and VRT DYNAMICS of the AMMONIA DIMER : A FURTHER ANALYSIS.


5th VIBRATION MODE.





fig n°7
Intermolecular Torsion




The animation shows that no N-H tilt occurs which could lead to an interchange.
In our previous work [Muguet 95B] , we suggested that interchange dynamics could be feasible, along this mode. The RHF PES may be different from the MCSCF PES, but also it can be realized that it is difficult with the help of solely 2D graphs to assess correctly vibrational motions.







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