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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.
|Publication date:||16th March 2001|
|Author:||Thomas R. Cundari|
|Publisher:||CRC Press Inc an imprint of Taylor & Francis Inc|
|Categories:||Organometallic chemistry, Computer science,|