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Introduction to Computational Chemistry Paperback – Dec 23 1998

3.7 out of 5 stars 4 customer reviews

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Product details

  • Paperback: 446 pages
  • Publisher: Wiley; 1 edition (Dec 23 1998)
  • Language: English
  • ISBN-10: 0471984256
  • ISBN-13: 978-0471984252
  • Product Dimensions: 19.1 x 2.5 x 24.6 cm
  • Shipping Weight: 962 g
  • Average Customer Review: 3.7 out of 5 stars 4 customer reviews
  • Amazon Bestsellers Rank: #4,194,123 in Books (See Top 100 in Books)
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Product description

From the Back Cover

Introduction to Computational Chemistry Frank Jensen Odense University, Denmark Computational chemistry is a rapidly emerging and developing area, combining theoretical models with computers to investigate a variety of chemical phenomena. Increasingly applied throughout chemistry, computational methods are becoming an integral part of modern chemical research. Introduction to Computational Chemistry provides a comprehensive account of the fundamental principles underlying different methods, ranging from classical to sophisticated quantum models. Although the main focus is on molecular structures and energetics, subjects such as molecular properties, dynamical aspects, relativistic methods and qualitative models are also covered. Introduction to Computational Chemistry features:
* Coverage from first principles through to the latest advances.
* Relatively self-contained chapters, allowing for flexibility in the order in which they can be read.
* A web site containing additional information.
Suitable for students and researchers entering the field of computational chemistry, it is also an essential reference for procedures commonly cited in computational chemistry literature. No prior knowledge of concepts specific to computational chemistry is necessary, although some understanding of introductory quantum mechanics and elementary mathematics is assumed.

About the Author

Frank Jensen obtained his PhD from UCLA in 1987 working with Professors C. S. Foote and K. N. Houk, and is currently an Associate Professor in the Department of Chemistry, Odense University, Denmark. The author of over 50 published papers and articles, he has also made contributions to the widely used computational program packages GAMESS, MOPAC and AMPAC.


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Amazon.com: 4.1 out of 5 stars 10 reviews
John A Jaksich
5.0 out of 5 starsA very good update on a classic text
November 20, 2016 - Published on Amazon.com
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MSE fanatic
4.0 out of 5 starsUseful but confused
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M. Goldey
4.0 out of 5 starsClear thinking, clear presentation of material
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