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Computational Organometallic Chemistry by Thomas R. Cundari

Computational Organometallic Chemistry


Computational Organometallic Chemistry by Thomas R. Cundari

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.


. . .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

About the Author

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Book Info

Publication date

16th March 2001


Thomas R. Cundari

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Marcel Dekker Inc an imprint of Taylor & Francis Inc


448 pages


Organometallic chemistry
Computer science



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