Computational Organometallic Chemistry

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This comprehensive reference/text provides a "how-to" approach to the Demonstrates cutting-edge applications in actinide chemistry, catalysi Written by leading researchers in the field, Computational Organometal lic Chemistry is an outstanding reference for organometallic, computat ional, inorganic, organic, medicinal, and materials chemists; and indu strial researchers; and an invaluable and informative text for upper-l evel undergraduate and graduate students in these disciplines.

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Editorial Reviews

Journal of the American Chemical Society
...carefully written with a general audience in mind....highly recommend[ed].
For graduate and upper-class undergraduate students, chemists from the US, Europe, and Japan discuss the challenges in reliable modeling in organometallic chemistry and strategies for addressing those challenges. They explain techniques and survey applications in catalysis, medicine, organic synthesis, actinide chemistry, and other fields. Their topics include a recipe for an organometallic force field, quantitative considerations of steric effects through hybrid quantum mechanics or molecular mechanics methods, titanium chemistry, spin-forbidden reactions in transition metal chemistry, and main group half-sandwich and full-sandwich metallocenes. Annotation c. Book News, Inc., Portland, OR (
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Product Details

  • ISBN-13: 9780824704780
  • Publisher: Taylor & Francis
  • Publication date: 3/28/2001
  • Pages: 448
  • Product dimensions: 7.25 (w) x 10.25 (h) x 2.00 (d)

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.

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