Modelle molekularer Kraftfelder und ihre Anwendung in der Schwingungsspektroskopie

2010 
The concepts hitherto existing on the nature of intramolecular force fields and their physical background are presented. A short characterization of the individual force fields is followed by the description of possibilities for their application in vibrational spectroscopy. In addition to some traditional applications particularly new areas of application are outlined resulting from our present knowledge with regard to transferable force fields on the one hand and from the increasing combination of conventional and quantum chemical methods on the other. From the authors' point of view possible developments of the subject are mentioned.
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