1st Edition

Computational Organometallic Chemistry





ISBN 9780367397494
Published December 13, 2019 by CRC Press
442 Pages

USD $69.95

Prices & shipping based on shipping country


Preview

Book Description

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.

Table of Contents

Introduction: computational organometallic chemistry. Methods: molecular mechanics-based methods; quantum methods; hybrid methods. Applications: organic/medicinal chemistry; catalysis; transition metal chemistry; F-element chemistry; main group chemistry.

...
View More

Author(s)

Biography

Cundari, Thomas R.