Introduction to Computational Chemistry
Introduction to Computational Chemistry
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Summary
mThis introduction to computational chemistry focuses on calculating molecular structures and (relative) energies. With discussion ranging from first principles to recent advances, it is structured to guide and aid students' understanding of this subject.
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Introduction to Computational Chemistry by Frank Jensen
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.
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.
| SKU | Unavailable |
| ISBN 13 | 9780471984252 |
| ISBN 10 | 0471984256 |
| Title | Introduction to Computational Chemistry |
| Author | Frank Jensen |
| Condition | Unavailable |
| Binding Type | Paperback |
| Publisher | John Wiley and Sons Ltd |
| Year published | 1998-09-25 |
| Number of pages | 446 |
| Cover note | Book picture is for illustrative purposes only, actual binding, cover or edition may vary. |
| Note | Unavailable |