Computational Chemistry of Solid State Materials: A Guide for Materials Scientists, Chemists, Physicists and others [Hardcover]

Richard Dronskowski (Author), Roald Hoffmann (Foreword)

Book Description

Publication Date: March 13, 2006 | ISBN-10: 3527314105 | ISBN-13: 978-3527314102 | Edition: 1

This is the first book to present both classical and quantum-chemical approaches to computational methods, incorporating the many new developments in this field from the last few years. Written especially for "non"-theoretical readers in a readily comprehensible and implemental style, it includes numerous practical examples of varying degrees of difficulty. Similarly, the use of mathematical equations is reduced to a minimum, focusing only on those important for experimentalists. Backed by many extensive tables containing detailed data for direct use in the calculations, this is the ideal companion for all those wishing to improve their work in solid state research.

Editorial Reviews

Review

"...an excellent desktop reference source for students and researchers who use, or are looking to use, computational approaches to study the solid state. It is well organized, with just enough detail to provide insight into various techniques and applications...The monograph also comes at an appropriate time, for as computational methods become accessible to many different researchers, an understanding and assessment of the strengths and weaknesses of the various models is needed." Angewandte Chemie

"A unique strength of the book is that the author presents the various methods from the context of problem-solving, with a fairly neutral perspective of the relative merits of each method. The book is highly readable and accessible for nonexperts and, along with other texts as noted above, should greatly enhance the training of anyone in this field."
J. AM. CHEM. SOC.

From the Back Cover

Describing solid state materials with computational and theoretical models is now an important tool for solid state chemists, making it possible to gain an insight into electronic and magnetic structure, as well as chemical bonding. In addition, chemists are now able to make a prediction about materials that are yet to be synthesized, such that a systematic and successful synthesis of new materials with specific properties and attributes is possible.
This is the first book to present both classical practical approaches as well as practical quantum-chemical approaches, incorporating the many new methods developed over the last few years. Written especially for "non"-theoretical readers in a very comprehensible and readily implemental style, it includes numerous practical examples of varying degrees of difficulty. Similarly, the use of mathematical equations is reduced to a minimum, focusing only on that which is important for experimentalists.
Backed by many extensive tables containing detailed data for direct use in the calculations, this is the ideal companion for theoretical and solid state chemists, physicochemists, crystallographers and materials scientists, wishing to improve their work in solid state research by using computational methods.

See all Editorial Reviews

Product Details

• Hardcover: 300 pages
• Publisher: Wiley-VCH; 1 edition (March 13, 2006)
• Language: English
• ISBN-10: 3527314105
• ISBN-13: 978-3527314102
• Product Dimensions: 9.6 x 7 x 0.8 inches
• Shipping Weight: 1.5 pounds (View shipping rates and policies)
• Average Customer Review: 5.0 out of 5 stars  See all reviews (2 customer reviews)
• Amazon Best Sellers Rank: #2,052,152 in Books (See Top 100 in Books)

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Customer Reviews

Most Helpful Customer Reviews

5.0 out of 5 stars Chemists view of Materials, October 26, 2010

By 

Glenn R. Morello "morellog" (Denton, TX) - See all my reviews
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This review is from: Computational Chemistry of Solid State Materials: A Guide for Materials Scientists, Chemists, Physicists and others (Hardcover)

this book is excellently written for the chemists who are getting into materials science. the cross-over can sometimes be tough due to the "language barrier" in that materials typically uses different terms for subjects that chemists use. this book, being written specifically to bridge that gap, does an excellent job presenting the material for the chemists viewpoint.
the theory is well laid out and examples of computational approaches and discussion of results are clearly presented. the good and bad of methods are presented in an unbiased way allowing the reader to weigh all options in order to select an approach which is appropriate for their research.

i highly recommend this book for any upper level undergraduates of graduate student...or any chemist looking to cross over into the world of materials science.

5.0 out of 5 stars Best Computational Cehm Book Ever!!, April 20, 2009

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T. You (DE, USA) - See all my reviews
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This review is from: Computational Chemistry of Solid State Materials: A Guide for Materials Scientists, Chemists, Physicists and others (Hardcover)

This is really well written and a realtively easily understandable book for the most of the people in computational and material chemistry. The most attractive point found for me was the fact that many different codes and methods are nicely compared and gave a guideline to find which would be the most suitable method for a specific task. This is one of my favorite books, and I recommend it to the people looking for computational chemistry books.