Computational Organometallic Chemistry
Computational Organometallic ChemistryThomas R. Cundari
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Computational Organometallic Chemistry

Computational Organometallic Chemistry

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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.