As computers become an important part of everyday life, molecular modelling is affecting all parts of chemistry, and is particularly useful in organic chemistry. But how does it work? How reliable is it? What are its limitations? Is it useful for normal chemists? In answering these questions, this book demystifies molecular modelling, enabling the non-specialist to appreciate the power, but also the limitations, of the computational tools available. Chemical Applications of Molecular Modelling provides a background to the methods used and describes how they have developed. It also shows how molecular modelling has been used to address chemical questions commonly asked by the experimental chemist, and includes many examples and case studies. It will be suitable as an undergraduate coursebook - putting normal chemistry course work into perspective with respect to modelling methods - as well as providing a useful reference for researchers. A discussion area and enhanced images from the book are available at: http://www.chemsoc.org/chembytes/publications/goodman/goodman.htm
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"... a first-rate introductory text ... impressive." * Chemistry in Britain, March 1999 * "... useful for all chemists interested in ths rapidly growing subject ..." * Aslib Book Guide, Vol 64, No 2, February 1999 * "I cannot recommend this very readable text highly enough." * Scientific Computing World, Issue 47, June/July 1999, p31 *
As computers become an important part of everyday life, molecular modelling is affecting all parts of chemistry, and is particularly useful in organic chemistry. But how does it work? How reliable is it? What are its limitations? Is it useful for normal chemists? In answering these questions, this book aims to demystify molecular modelling, enabling the non-specialist to appreciate the power and the limitations of the computational tool available. The book provides a background to the methods used and describes how they have developed. It also shows how molecular modelling has been used to address chemical questions commonly asked by the experimental chemist, and includes many examples and case studies. It is aimed at undergraduates as well as researchers. A discussion are and enhanced images from the book are available online.
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