Reviews in Computational Chemistry, Volume 10

ISBN-13: 9780471186489 / Angielski / Twarda / 1996 / 360 str.

Lipkowitz; Donald B. Boyd; K. B. Lipowitz

Opis

Not only a major reference work for sale to the library market, Reviews in Computational Chemistry is now a purchase by individuals due to the explosive growth in the use of computational chemistry throughout many scientific disciplines. In an instructional and nonmathematical style, these books provide an access to computational methods often outside a researcher's area of expertise. Volumes 9 & 10 represent the next two volumes in the successful series designed to help the chemistry community keep current with the many new developments in computational techniques. Many chapters are written as tutorials to introduce the many facets of computational chemistry, including molecular modeling, computer-assisted molecular design (CAMD), quantum chemistry, molecular mechanics and dynamics, and quantitative structure-activity relationships (QSAR). The authors provide necessary background and theory, strategies for implementing the methods, pitfalls to avoid, applications, and references.

Spis treści

Genetic Algorithms and Their Use in Chemistry (R. Judson).

Does Combinatorial Chemistry Obviate Computer–Aided Drug Design?

(E. Martin, et al.).

Visualizing Molecular Phase Space: Nonstatistical Effects in Reaction Dynamics (R. Topper).

Computational Studies in Nonlinear Dynamics (R. Larter & K. Showalter).

The Development of Computational Chemistry in the United Kingdom (S. Smith & B. Sutcliffe).

Indexes.

Blurb

Volume 10 Reviews in Computational Chemistry Kenny B. Lipkowitz and Donald B. Boyd In This Volume, Several Chapters Share the Theme of Chaos and Randomness. Chapter 1 Shows How Genetic Algorithms Work to Find Global Minima on Complex Response Surfaces; The Many Applications of This Increasingly Popular Tool are Reviewed. Chapter 2 Addresses the Question of Whether Computational Chemistry Can Survive in the New Era of Combinatorial Chemistry; Techniques for Optimal Design of Structure–Activity Relationships and Molecular Diversity are Explained. Chapter 3 Teaches about Phase Space and the Use of Nonlinear Dynamics to Solve Questions in Reaction Dynamics, While Chapter 4 is a Tutorial on Universal Phenomena in the Natural Sciences from the Perspective of Nonlinear Dynamics. Chapter 5 is a History of Pivotal Developments in the Growth of Computational Chemistry in the United Kingdom. –From Reviews of the Series ... An Excellent Source of Background Information as well as of Current Research Studies in Computational Chemistry. Journal of Medicinal Chemistry