Computational Organometallic Chemistry

1st Edition

Thomas R. Cundari

CRC Press
December 20, 2019 Forthcoming
Reference - 448 Pages
ISBN 9780367397494 - CAT# K449245

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Summary

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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