Computational Organometallic Chemistry: 1st Edition (Hardback) book cover

Computational Organometallic Chemistry

1st Edition

By Thomas R. Cundari

CRC Press

442 pages

Purchasing Options:$ = USD
Paperback: 9780367397494
pub: 2019-08-30
Hardback: 9780824704780
pub: 2001-03-16

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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.

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.

About the Author

Cundari, Thomas R.

Subject Categories

BISAC Subject Codes/Headings:
SCIENCE / Chemistry / General
SCIENCE / Chemistry / Inorganic
SCIENCE / Chemistry / Physical & Theoretical