A comparative quantum chemical study of
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M. Piacenza; I. Hyla-Kryspin; S. Grimme
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Article
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2007
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John Wiley and Sons
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English
β 331 KB
## Abstract The accurate quantum mechanical description of homogeneous catalysis involving transitionβmetal complexes is a complicated and computationally demanding task. Hence, in this study the performance of different quantum chemical approaches with respect to the ruthenium catalyzed olefin met