Computational Organometallic Chemistry

Computational Organometallic Chemistry

Forfatter: Thomas R. Cundari
Forlag: CRC Press
Udgave: 1
Udgivelsesdato: 2001
ISBN: 0824704789

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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.

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