CRC Press Computational Organometallic Chemistry

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. Review ." . .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 Cundari, Thomas R.