Automated Analysis and Simulation of NMR Spectra: Applications to Organo Phosphorus Chemistry |
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| Authors: | G Hägele M Engelhardt M Grzonka |
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| Institution: | Institut für Anorganische Chemie und Strukturchemie I Universit?t Düsseldorf , Universit?tsstr. 1, D-4000 , Düsseldorf |
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| Abstract: | Abstract Analysis of molecular structures in solution- and liquid-state is based on modern NMR methods. A novel set of computer programs was developed which allows for a more convenient automated analysis of NMR parameters and subsequent simulation of NMR spectra. Programs and techniques used are demonstrated for model systems like: |
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