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Showing 1 to 1 of 1 for “"Multireferenz"”.
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Large-Scale Applications of Multi-Reference Methods in Chemistry and Development of a Multi-Reference Moller-Plesset Perturbation Theory Program
The first part of this work focuses on the characterization of systems which complex electronic structures require the application of multi-reference methods. The anti-tumor efficacy of the natural product Neocarzinostatin is based on the formation of diradicals and causes DNA cleavage and finally …