Computational Methods in Organometallic Catalysis
Discover recent advances in the mechanistic study of organometallic
catalysis
In Computational Methods in Organometallic Catalysis: From Elementary
Reactions to Mechanisms, distinguished chemist and author Yu Lan
delivers a synthesis of the use of calculation methods and experimental
techniques to improve the efficiency of reaction and yield of product
and to uncover the factors that control the selectivity of product.
Providing not only a theoretical overview of organometallic catalysis,
the book also describes computational studies for the mechanism of
transition-metal-assisted reactions.
You'll learn about Ni-, Pd-, Pt-, Co-, Rh-, Ir-, Fe-, Ru-, Mn-, Cu-,
Ag-, and Au- catalysis. You'll also discover many of the experimental
and theoretical advances in organometallic catalysis reported in the
recent literature. The book summarizes and generalizes the advances made
in the mechanistic study of organometallic catalysis.
Readers will also benefit from the inclusion of:
- A thorough introduction to computational organometallic chemistry,
including a brief history of the discipline and the use of
computational tools to study the mechanism of organometallic chemistry
- An exploration of computational methods in organometallic chemistry,
including density functional theory methods and basis sets and their
application in mechanism studies
- A practical discussion of elementary reactions in organometallic
chemistry, including coordination and dissociation, oxidative
addition, reductive elimination, insertion, elimination,
transmetallation, and metathesis
- A concise treatment of the theoretical study of transition-metal
catalysis.
Perfect for organic, catalytic, complex, and structural chemists,
Computational Methods in Organometallic Catalysis will also earn a
place in the libraries of theoretical chemists seeking a one-stop
organometallic catalysis resource with a focus on the mechanism of
transition-metal-assisted reactions.
