Introduction to Computational Chemistry - Softcover

Jensen, Frank

Softcover

ISBN 10: 0471984256 ISBN 13: 9780471984252

Publisher: Wiley–Blackwell, 1998

Synopsis

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 this title

From the Publisher:

"...an essential reference..."
"...Jensen has done an excellent job in presenting the essential principles behind the most extensively used methods of computational chemistry...I liked the style of presentation and consider the relatively self-contained nature of the individual chapters to be an asset...the book should prove invaluable to new entrants to this thriving area of modern chemical research...and this book should also be an essential reference for non-specialists who need to assess the quality of computational results published in the chemical literature..."

Education in Chemistry, July 1999 Issue

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.

About this edition

• Publisher: Wiley–Blackwell
• Publication date: 1998
• ISBN 10: 0471984256
• ISBN 13: 9780471984252
• Binding: Paperback
• Number of pages: 446