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Computational Organometallic Chemistry

by Thomas R. Cundari

Computational Organometallic Chemistry Synopsis

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.

Computational Organometallic Chemistry Press Reviews

. . .fills a gap in the literature by covering a broad range of topics. . ..will be useful at the graduate level and to everyone with some knowledge of computational methods. . .. . . .should and will fulfil an important goal: to make computational studies part of everyday life. ---Perkin Transactions 1 . . .takes an interesting approach that brings together pedagogical reviews on important topics. . ..will be useful at the graduate level and to everyone with some knowledge of computational methods. ---Perkin Transactions 1 . . .carefully written with a general audience in mind. . ..highly recommend[ed]. ---Journal of the American Chemical Society . . .gives a good overview of the many different methods and their particular advantages, as well as identifying problems that still remain to be solved. ---Angewandte Chemie

Book Information

ISBN: 9780824704780
Publication date: 16th March 2001
Author: Thomas R. Cundari
Publisher: CRC Press Inc an imprint of Taylor & Francis Inc
Format: Hardback
Pagination: 448 pages
Categories: Organometallic chemistry, Computer science,

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