Quantum Mechanical Methods in Main Group Chemistry

Thomas M. Klapötke

ISBN 10: 0471972428 / ISBN 13: 9780471972426

Published by John Wiley and Sons Ltd, 1998

About this Item

Quantum mechanical methods are increasingly being used to calculate and predict the behaviour of molecules. This text seeks to provide an insight into modern quantum mechanical methods, like ab initio and density functional theory, used in theoretical chemistry. Series: Theoretical Chemistry S. Num Pages: 280 pages, illustrations. BIC Classification: PNRP. Category: (P) Professional & Vocational; (UP) Postgraduate, Research & Scholarly; (UU) Undergraduate. Dimension: 254 x 197 x 22. Weight in Grams: 752. . 1998. 1st Edition. Hardcover. . . . . Books ship from the US and Ireland.

Seller Inventory # V9780471972426

Bibliographic Details

• Title: Quantum Mechanical Methods in Main Group Chemistry
• Publisher: John Wiley and Sons Ltd
• Publication Date: 1998
• Language: English
• ISBN 10: 0471972428
• ISBN 13: 9780471972426
• Binding: Hardcover
• Condition: New

About this title

Synopsis

Quantum Chemical Methods In Main-Group Chemistry Thomas M. Klapötke Axel Schulz University of Munich, Germany With an invited chapter by Richard D. Harcourt University of Melbourne, Australia Computational quantum chemistry has emerged in recent years as a key tool for the elucidation of molecular structure and molecular properties. However, it is still sometimes regarded as a highly theoretical subject of limited practical value. In this book the authors emphasize the strong link between quantum chemical calculations and experiment. The book is a fascinating blend of theory and experiment, and deals with topical and interesting molecules, using state-of-the-art techniques and accompanied by full explanations. In Part 1 of Quantum Chemical Methods in Main-Group Chemistry, modern quantum mechanical procedures are described in a concise and systematic manner. Sufficient theory is provided to enable the reader to come to terms with the primary features of the methodology. In Part II, numerous applications of these procedures are described. These applications provide extensive consideration of highly topical and interesting modern chemistry, and also illustrate aspects of the methodology. Part III, which is new in the English edition, is written by Professor Richard D. Harcourt. To provide a fully balanced approach to the subject, this part provides valence bond descriptions, and considerable attention is given to the use of Pauling three-electron bonds and increased valence structures. Relevant valence-bond concepts are reviewed briefly in the first chapters of Part III. Quantum Mechanical Methods in Main-Group Chemistry provides an invaluable link between computational quantum chemical techniques and practical, modern chemistry. As such, it is an important resource for both the advanced undergraduate and postgraduate student, and also for the more experienced researcher.

About the Author

Thomas Matthias Klapötke is a German inorganic chemist. He was Professor of Inorganic Chemistry at University of Glasgow from 1992 to 1997. Since 1997, he has been Professor of Inorganic Chemistry at the Ludwig Maximilian University of Munich. Axel Schulz is the author of Quantum Chemical Methods in Main-Group Chemistry published by Wiley.