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This work provides a how-to approach to the fundamentals, methodologies and dynamics of computational organometallic chemistry, including classical and molecular mechanics (MM), quantum mechanics (QM), and hybrid MM/QM techniques.
It demonstrates applications in actinide chemistry, catalysis, main group chemistry, medicine, and organic synthesis.
New Directions in the Modeling of Organometallic Reactions
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Computational Methods in Organometallic Catalysis
Organometallic Chemistry of the Transition Metals
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NMR in Organometallic Chemistry
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Understanding Organometallic Reaction Mechanisms and Catalysis
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